REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1pjl_1_F DATA FIRST_RESID 5023 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5023 E HA 0.000 nan 4.350 nan 0.000 0.291 5023 E C 0.000 176.580 176.600 -0.034 0.000 1.382 5023 E CA 0.000 56.385 56.400 -0.025 0.000 0.976 5023 E CB 0.000 29.686 29.700 -0.024 0.000 0.812 5024 K N 0.610 120.983 120.400 -0.046 0.000 2.571 5024 K HA 0.798 5.119 4.320 0.002 0.000 0.289 5024 K C 0.239 176.794 176.600 -0.076 0.000 1.028 5024 K CA -0.227 56.022 56.287 -0.064 0.000 0.895 5024 K CB 1.157 33.622 32.500 -0.059 0.000 1.534 5024 K HN 1.073 nan 8.250 nan 0.000 0.421 5025 G N 1.614 110.354 108.800 -0.101 0.000 2.488 5025 G HA2 -0.334 3.627 3.960 0.002 0.000 0.237 5025 G HA3 -0.334 3.627 3.960 0.002 0.000 0.237 5025 G C 0.342 175.173 174.900 -0.114 0.000 1.209 5025 G CA 0.442 45.482 45.100 -0.100 0.000 0.929 5025 G HN 0.866 nan 8.290 nan 0.000 0.578 5026 K N 1.568 121.917 120.400 -0.085 0.000 2.025 5026 K HA 0.067 4.388 4.320 0.002 0.000 0.207 5026 K C 0.235 176.797 176.600 -0.063 0.000 1.049 5026 K CA 2.016 58.258 56.287 -0.076 0.000 0.933 5026 K CB -0.798 31.669 32.500 -0.053 0.000 0.714 5026 K HN 0.338 nan 8.250 nan 0.000 0.438 5027 P HA -0.213 nan 4.420 nan 0.000 0.218 5027 P C 0.543 177.823 177.300 -0.034 0.000 1.146 5027 P CA 0.711 63.787 63.100 -0.039 0.000 0.820 5027 P CB -0.047 31.630 31.700 -0.038 0.000 0.778 5031 N N 2.704 121.412 118.700 0.013 0.000 2.414 5031 N HA 0.244 4.985 4.740 0.002 0.000 0.256 5031 N C -1.842 173.687 175.510 0.031 0.000 1.029 5031 N CA -1.733 51.321 53.050 0.006 0.000 0.948 5031 N CB 1.915 40.402 38.487 0.001 0.000 1.102 5031 N HN -0.114 nan 8.380 nan 0.000 0.496 5032 P HA -0.132 nan 4.420 nan 0.000 0.218 5032 P C 0.802 178.135 177.300 0.055 0.000 1.146 5032 P CA 1.275 64.386 63.100 0.019 0.000 0.813 5032 P CB 0.321 32.002 31.700 -0.033 0.000 0.778 5033 R N -0.981 119.543 120.500 0.040 0.000 2.235 5033 R HA 0.013 4.354 4.340 0.002 0.000 0.213 5033 R C 1.630 177.994 176.300 0.106 0.000 1.059 5033 R CA 1.799 57.938 56.100 0.066 0.000 0.997 5033 R CB -0.794 29.517 30.300 0.019 0.000 0.884 5033 R HN 0.377 nan 8.270 nan 0.000 0.462 5034 T N -3.581 111.039 114.554 0.110 0.000 2.955 5034 T HA 0.057 4.409 4.350 0.002 0.000 0.251 5034 T C 0.691 175.532 174.700 0.235 0.000 1.002 5034 T CA -0.507 61.687 62.100 0.157 0.000 0.970 5034 T CB -0.025 68.924 68.868 0.136 0.000 1.091 5034 T HN -0.083 nan 8.240 nan 0.000 0.495 5035 N N 2.070 120.889 118.700 0.200 0.000 2.492 5035 N HA 0.177 4.918 4.740 0.002 0.000 0.262 5035 N C 0.287 175.715 175.510 -0.135 0.000 1.202 5035 N CA 0.264 53.454 53.050 0.233 0.000 0.926 5035 N CB 0.681 39.270 38.487 0.170 0.000 1.078 5035 N HN 0.288 nan 8.380 nan 0.000 0.454 5036 K N 1.657 121.610 120.400 -0.746 0.000 2.501 5036 K HA 0.221 4.543 4.320 0.002 0.000 0.204 5036 K C 0.456 176.657 176.600 -0.666 0.000 1.067 5036 K CA -0.087 55.511 56.287 -1.148 0.000 1.060 5036 K CB 0.304 31.543 32.500 -2.101 0.000 0.873 5036 K HN 0.844 nan 8.250 nan 0.000 0.540 5040 F N 3.082 122.938 119.950 -0.156 0.000 2.571 5040 F HA 0.272 4.800 4.527 0.002 0.000 0.390 5040 F C 1.763 177.517 175.800 -0.076 0.000 1.043 5040 F CA 1.423 59.348 58.000 -0.125 0.000 1.164 5040 F CB 0.639 39.582 39.000 -0.095 0.000 1.049 5040 F HN 0.295 nan 8.300 nan 0.000 0.552 5041 T N 3.195 117.812 114.554 0.104 0.000 2.663 5041 T HA -0.078 4.273 4.350 0.002 0.000 0.325 5041 T C 1.125 175.866 174.700 0.067 0.000 1.059 5041 T CA -0.379 61.758 62.100 0.062 0.000 1.039 5041 T CB 0.607 69.500 68.868 0.043 0.000 0.996 5041 T HN 0.604 nan 8.240 nan 0.000 0.539 5042 L N 0.888 122.135 121.223 0.039 0.000 2.072 5042 L HA 0.130 4.471 4.340 0.002 0.000 0.205 5042 L C 2.811 179.691 176.870 0.016 0.000 1.079 5042 L CA 2.035 56.890 54.840 0.025 0.000 0.752 5042 L CB -1.193 40.877 42.059 0.017 0.000 0.906 5042 L HN 0.924 nan 8.230 nan 0.000 0.436 5043 Q N 0.159 119.969 119.800 0.018 0.000 2.002 5043 Q HA -0.270 4.072 4.340 0.002 0.000 0.204 5043 Q C 2.189 178.194 176.000 0.008 0.000 0.988 5043 Q CA 2.411 58.220 55.803 0.010 0.000 0.843 5043 Q CB -0.300 28.447 28.738 0.015 0.000 0.908 5043 Q HN 0.624 nan 8.270 nan 0.000 0.420 5044 E N -0.439 119.778 120.200 0.028 0.000 2.171 5044 E HA -0.250 4.101 4.350 0.002 0.000 0.197 5044 E C 2.125 178.715 176.600 -0.017 0.000 0.997 5044 E CA 1.014 57.433 56.400 0.031 0.000 0.810 5044 E CB -0.015 29.749 29.700 0.106 0.000 0.738 5044 E HN 0.253 nan 8.360 nan 0.000 0.467 5045 R N 0.449 120.941 120.500 -0.013 0.000 2.062 5045 R HA -0.050 4.291 4.340 0.002 0.000 0.231 5045 R C 1.177 177.439 176.300 -0.063 0.000 1.136 5045 R CA 0.856 56.920 56.100 -0.059 0.000 0.948 5045 R CB 0.032 30.318 30.300 -0.022 0.000 0.845 5045 R HN 0.169 nan 8.270 nan 0.000 0.430 5049 G N 1.681 110.426 108.800 -0.091 0.000 2.295 5049 G HA2 -0.283 3.678 3.960 0.002 0.000 0.287 5049 G HA3 -0.283 3.678 3.960 0.002 0.000 0.287 5049 G C 0.662 175.499 174.900 -0.105 0.000 1.055 5049 G CA 0.810 45.859 45.100 -0.084 0.000 0.922 5049 G HN 0.365 nan 8.290 nan 0.000 0.503 5050 L N -1.112 120.035 121.223 -0.128 0.000 2.609 5050 L HA 0.220 4.561 4.340 0.002 0.000 0.230 5050 L C 1.539 178.349 176.870 -0.099 0.000 1.087 5050 L CA -0.330 54.419 54.840 -0.152 0.000 0.874 5050 L CB -0.039 41.863 42.059 -0.262 0.000 1.114 5050 L HN 0.218 nan 8.230 nan 0.000 0.488 5051 Q N 1.081 120.837 119.800 -0.073 0.000 2.368 5051 Q HA -0.035 4.307 4.340 0.002 0.000 0.331 5051 Q C 1.258 177.235 176.000 -0.038 0.000 1.086 5051 Q CA 1.499 57.275 55.803 -0.046 0.000 1.031 5051 Q CB 0.428 29.145 28.738 -0.036 0.000 1.125 5051 Q HN 0.492 nan 8.270 nan 0.000 0.389 5052 G N 2.873 111.657 108.800 -0.027 0.000 2.205 5052 G HA2 -0.254 3.707 3.960 0.002 0.000 0.261 5052 G HA3 -0.254 3.707 3.960 0.002 0.000 0.261 5052 G C 0.563 175.450 174.900 -0.022 0.000 0.980 5052 G CA 0.345 45.433 45.100 -0.021 0.000 0.632 5052 G HN 0.559 nan 8.290 nan 0.000 0.533 5053 L N -0.246 120.958 121.223 -0.033 0.000 2.640 5053 L HA 0.509 4.850 4.340 0.002 0.000 0.230 5053 L C 0.843 177.701 176.870 -0.019 0.000 1.123 5053 L CA 0.386 55.206 54.840 -0.034 0.000 0.900 5053 L CB 0.094 42.119 42.059 -0.058 0.000 1.146 5053 L HN 0.212 nan 8.230 nan 0.000 0.484 5054 L N -0.540 120.678 121.223 -0.008 0.000 2.376 5054 L HA 0.474 4.816 4.340 0.002 0.000 0.258 5054 L C -2.334 174.548 176.870 0.019 0.000 1.013 5054 L CA -1.786 53.064 54.840 0.017 0.000 0.822 5054 L CB 2.443 44.525 42.059 0.038 0.000 1.388 5054 L HN -0.197 nan 8.230 nan 0.000 0.413 5055 P HA 0.099 nan 4.420 nan 0.000 0.268 5055 P C -2.348 174.965 177.300 0.022 0.000 1.204 5055 P CA -0.908 62.205 63.100 0.022 0.000 0.768 5055 P CB -0.153 31.563 31.700 0.026 0.000 0.842 5056 P HA 0.006 nan 4.420 nan 0.000 0.238 5056 P C -0.143 177.168 177.300 0.018 0.000 1.649 5056 P CA 0.854 63.962 63.100 0.015 0.000 0.960 5056 P CB 0.051 31.757 31.700 0.010 0.000 1.911 5057 K N 1.549 121.963 120.400 0.023 0.000 2.527 5057 K HA 0.402 4.723 4.320 0.002 0.000 0.260 5057 K C -1.033 175.585 176.600 0.029 0.000 0.937 5057 K CA -0.891 55.411 56.287 0.024 0.000 0.826 5057 K CB 2.256 34.770 32.500 0.024 0.000 1.359 5057 K HN -0.089 nan 8.250 nan 0.000 0.434 5058 I N 2.972 123.557 120.570 0.026 0.000 2.503 5058 I HA 0.310 4.481 4.170 0.002 0.000 0.277 5058 I C 0.540 176.670 176.117 0.022 0.000 1.078 5058 I CA -0.518 60.798 61.300 0.026 0.000 1.184 5058 I CB 0.395 38.409 38.000 0.024 0.000 1.353 5058 I HN 0.523 nan 8.210 nan 0.000 0.490 5059 E N 3.039 123.252 120.200 0.022 0.000 2.605 5059 E HA 0.451 4.802 4.350 0.002 0.000 0.255 5059 E C 0.348 176.964 176.600 0.027 0.000 1.369 5059 E CA -0.062 56.355 56.400 0.027 0.000 1.017 5059 E CB 0.869 30.589 29.700 0.034 0.000 1.086 5059 E HN 0.647 nan 8.360 nan 0.000 0.605 5060 T N -2.882 111.700 114.554 0.046 0.000 2.903 5060 T HA 0.143 4.494 4.350 0.002 0.000 0.299 5060 T C 0.666 175.423 174.700 0.096 0.000 1.093 5060 T CA -0.831 61.309 62.100 0.068 0.000 1.002 5060 T CB 1.697 70.596 68.868 0.051 0.000 1.127 5060 T HN 0.452 nan 8.240 nan 0.000 0.488 5061 Q N 0.274 120.160 119.800 0.144 0.000 2.118 5061 Q HA -0.245 4.097 4.340 0.002 0.000 0.211 5061 Q C 1.379 177.404 176.000 0.042 0.000 0.998 5061 Q CA 2.515 58.376 55.803 0.096 0.000 0.872 5061 Q CB -0.228 28.483 28.738 -0.046 0.000 0.925 5061 Q HN 0.731 nan 8.270 nan 0.000 0.414 5062 D N -0.087 120.333 120.400 0.034 0.000 2.133 5062 D HA -0.191 4.450 4.640 0.002 0.000 0.195 5062 D C 1.817 178.153 176.300 0.061 0.000 0.997 5062 D CA 1.234 55.257 54.000 0.038 0.000 0.840 5062 D CB -0.208 40.610 40.800 0.030 0.000 0.947 5062 D HN 0.344 nan 8.370 nan 0.000 0.452 5063 I N 1.073 121.679 120.570 0.060 0.000 2.233 5063 I HA -0.245 3.926 4.170 0.002 0.000 0.243 5063 I C 2.600 178.764 176.117 0.079 0.000 1.093 5063 I CA 0.786 62.125 61.300 0.065 0.000 1.380 5063 I CB -0.217 37.815 38.000 0.054 0.000 1.067 5063 I HN -0.043 nan 8.210 nan 0.000 0.413 5064 Q N 1.098 120.945 119.800 0.077 0.000 2.096 5064 Q HA -0.228 4.114 4.340 0.002 0.000 0.204 5064 Q C 2.434 178.492 176.000 0.096 0.000 0.982 5064 Q CA 1.769 57.622 55.803 0.083 0.000 0.850 5064 Q CB -0.619 28.168 28.738 0.081 0.000 0.901 5064 Q HN 0.569 nan 8.270 nan 0.000 0.422 5065 A N 1.809 124.674 122.820 0.075 0.000 1.849 5065 A HA -0.225 4.096 4.320 0.002 0.000 0.217 5065 A C 2.189 179.901 177.584 0.213 0.000 1.202 5065 A CA 1.614 53.702 52.037 0.085 0.000 0.629 5065 A CB -0.992 18.063 19.000 0.091 0.000 0.834 5065 A HN 0.326 nan 8.150 nan 0.000 0.447 5066 L N 0.133 121.480 121.223 0.207 0.000 2.010 5066 L HA -0.269 4.072 4.340 0.002 0.000 0.219 5066 L C 2.632 179.609 176.870 0.179 0.000 1.077 5066 L CA 2.811 57.778 54.840 0.212 0.000 0.773 5066 L CB -0.593 41.543 42.059 0.127 0.000 0.892 5066 L HN 0.567 nan 8.230 nan 0.000 0.436 5067 R N -1.427 119.156 120.500 0.139 0.000 2.154 5067 R HA -0.276 4.065 4.340 0.002 0.000 0.248 5067 R C 2.324 178.705 176.300 0.136 0.000 1.155 5067 R CA 2.166 58.335 56.100 0.114 0.000 0.979 5067 R CB -0.668 29.697 30.300 0.108 0.000 0.869 5067 R HN 0.512 nan 8.270 nan 0.000 0.452 5068 F N 0.508 120.469 119.950 0.017 0.000 2.074 5068 F HA -0.101 4.427 4.527 0.002 0.000 0.293 5068 F C 1.882 177.664 175.800 -0.031 0.000 1.116 5068 F CA 1.933 59.936 58.000 0.004 0.000 1.212 5068 F CB -0.446 38.462 39.000 -0.154 0.000 0.998 5068 F HN 0.081 nan 8.300 nan 0.000 0.471 5069 H N -0.516 118.639 119.070 0.143 0.000 2.387 5069 H HA -0.109 4.448 4.556 0.002 0.000 0.299 5069 H C 2.206 177.462 175.328 -0.119 0.000 1.099 5069 H CA 1.804 57.836 56.048 -0.026 0.000 1.315 5069 H CB -0.186 29.661 29.762 0.142 0.000 1.380 5069 H HN 0.137 nan 8.280 nan 0.000 0.513 5070 R N 0.171 120.697 120.500 0.043 0.000 2.189 5070 R HA -0.040 4.301 4.340 0.002 0.000 0.223 5070 R C 1.858 178.097 176.300 -0.102 0.000 1.092 5070 R CA 0.774 56.867 56.100 -0.012 0.000 0.989 5070 R CB 0.119 30.428 30.300 0.014 0.000 0.876 5070 R HN 0.374 nan 8.270 nan 0.000 0.457 5071 N N -0.329 118.259 118.700 -0.188 0.000 2.305 5071 N HA -0.091 4.650 4.740 0.002 0.000 0.179 5071 N C 1.551 176.815 175.510 -0.410 0.000 1.019 5071 N CA 0.637 53.512 53.050 -0.292 0.000 0.869 5071 N CB 0.089 38.372 38.487 -0.340 0.000 1.000 5071 N HN 0.114 nan 8.380 nan 0.000 0.431 5072 L N 2.442 123.360 121.223 -0.510 0.000 2.083 5072 L HA -0.114 4.228 4.340 0.002 0.000 0.209 5072 L C 2.296 179.028 176.870 -0.231 0.000 1.083 5072 L CA 1.633 56.205 54.840 -0.447 0.000 0.752 5072 L CB -0.400 41.324 42.059 -0.557 0.000 0.899 5072 L HN -0.008 nan 8.230 nan 0.000 0.433 5073 K N 0.082 120.382 120.400 -0.166 0.000 2.107 5073 K HA -0.202 4.119 4.320 0.002 0.000 0.211 5073 K C 0.661 177.209 176.600 -0.086 0.000 1.049 5073 K CA 1.477 57.713 56.287 -0.084 0.000 0.927 5073 K CB -0.073 32.396 32.500 -0.053 0.000 0.714 5073 K HN 0.361 nan 8.250 nan 0.000 0.452 5077 S N 3.849 119.546 115.700 -0.005 0.000 2.572 5077 S HA 0.276 4.747 4.470 0.002 0.000 0.279 5077 S C -1.766 172.848 174.600 0.023 0.000 1.341 5077 S CA -0.840 57.362 58.200 0.004 0.000 1.043 5077 S CB 0.367 63.569 63.200 0.002 0.000 0.887 5077 S HN 0.422 nan 8.310 nan 0.000 0.516 5078 P HA -0.073 nan 4.420 nan 0.000 0.222 5078 P C 1.219 178.576 177.300 0.095 0.000 1.147 5078 P CA 0.472 63.604 63.100 0.054 0.000 0.790 5078 P CB 0.086 31.805 31.700 0.031 0.000 0.780 5079 L N 0.075 121.339 121.223 0.069 0.000 2.270 5079 L HA 0.067 4.409 4.340 0.002 0.000 0.210 5079 L C 2.441 179.416 176.870 0.174 0.000 1.104 5079 L CA 1.340 56.243 54.840 0.105 0.000 0.804 5079 L CB -0.749 41.322 42.059 0.019 0.000 0.937 5079 L HN -0.163 nan 8.230 nan 0.000 0.450 5080 E N -0.489 119.776 120.200 0.108 0.000 2.204 5080 E HA -0.195 4.156 4.350 0.002 0.000 0.194 5080 E C 1.719 178.400 176.600 0.135 0.000 0.989 5080 E CA 0.841 57.298 56.400 0.095 0.000 0.824 5080 E CB 0.192 29.913 29.700 0.034 0.000 0.756 5080 E HN 0.533 nan 8.360 nan 0.000 0.477 5081 K N -0.201 120.290 120.400 0.151 0.000 2.044 5081 K HA -0.136 4.185 4.320 0.002 0.000 0.204 5081 K C 2.143 178.889 176.600 0.242 0.000 1.045 5081 K CA 0.953 57.355 56.287 0.192 0.000 0.951 5081 K CB -0.684 31.904 32.500 0.148 0.000 0.738 5081 K HN 0.147 nan 8.250 nan 0.000 0.443 5082 Y N 2.649 123.020 120.300 0.118 0.000 1.956 5082 Y HA -0.334 4.217 4.550 0.002 0.000 0.258 5082 Y C 2.150 178.123 175.900 0.121 0.000 1.152 5082 Y CA 1.803 59.971 58.100 0.112 0.000 1.093 5082 Y CB -0.686 37.826 38.460 0.087 0.000 0.945 5082 Y HN -0.080 nan 8.280 nan 0.000 0.488 5083 I N -0.637 120.046 120.570 0.188 0.000 2.300 5083 I HA -0.381 3.790 4.170 0.002 0.000 0.252 5083 I C 2.291 178.428 176.117 0.032 0.000 1.119 5083 I CA 1.931 63.266 61.300 0.058 0.000 1.384 5083 I CB -0.546 37.558 38.000 0.173 0.000 1.062 5083 I HN 0.486 nan 8.210 nan 0.000 0.426 5084 Y N 1.097 121.394 120.300 -0.005 0.000 2.220 5084 Y HA -0.032 4.519 4.550 0.002 0.000 0.291 5084 Y C 1.381 177.313 175.900 0.055 0.000 1.129 5084 Y CA 0.553 58.661 58.100 0.013 0.000 1.161 5084 Y CB -0.133 38.329 38.460 0.002 0.000 0.997 5084 Y HN 0.024 nan 8.280 nan 0.000 0.522 5088 I N 1.937 122.439 120.570 -0.114 0.000 2.700 5088 I HA -0.126 4.045 4.170 0.002 0.000 0.261 5088 I C 2.329 178.435 176.117 -0.019 0.000 1.219 5088 I CA 1.473 62.743 61.300 -0.051 0.000 1.463 5088 I CB -1.007 36.943 38.000 -0.083 0.000 1.092 5088 I HN 0.362 nan 8.210 nan 0.000 0.452 5089 Q N 1.324 121.011 119.800 -0.189 0.000 2.083 5089 Q HA -0.141 4.201 4.340 0.002 0.000 0.198 5089 Q C 1.145 176.926 176.000 -0.366 0.000 0.969 5089 Q CA 1.086 56.465 55.803 -0.707 0.000 0.838 5089 Q CB 0.270 28.202 28.738 -1.343 0.000 0.900 5089 Q HN 0.454 nan 8.270 nan 0.000 0.436 5090 E N -0.042 120.007 120.200 -0.251 0.000 2.368 5090 E HA 0.014 4.365 4.350 0.002 0.000 0.188 5090 E C 0.669 177.209 176.600 -0.101 0.000 1.061 5090 E CA 0.074 56.376 56.400 -0.163 0.000 0.933 5090 E CB 0.584 30.192 29.700 -0.155 0.000 1.091 5090 E HN 0.279 nan 8.360 nan 0.000 0.458 5091 R N 0.317 120.769 120.500 -0.080 0.000 2.789 5091 R HA 0.106 4.447 4.340 0.002 0.000 0.166 5091 R C 0.093 176.396 176.300 0.006 0.000 0.957 5091 R CA 0.097 56.180 56.100 -0.029 0.000 1.084 5091 R CB 0.595 30.882 30.300 -0.021 0.000 1.312 5091 R HN -0.080 nan 8.270 nan 0.000 0.546 5092 N N 1.288 119.999 118.700 0.019 0.000 2.577 5092 N HA 0.043 4.784 4.740 0.002 0.000 0.275 5092 N C -0.553 175.024 175.510 0.112 0.000 1.091 5092 N CA 0.011 53.105 53.050 0.074 0.000 0.843 5092 N CB 1.805 40.346 38.487 0.091 0.000 1.295 5092 N HN 0.293 nan 8.380 nan 0.000 0.530 5093 E N 2.737 123.015 120.200 0.130 0.000 2.012 5093 E HA -0.210 4.141 4.350 0.002 0.000 0.211 5093 E C 0.992 177.815 176.600 0.371 0.000 1.029 5093 E CA 1.530 58.060 56.400 0.216 0.000 0.867 5093 E CB 0.201 30.034 29.700 0.223 0.000 0.790 5093 E HN 0.506 nan 8.360 nan 0.000 0.482 5094 K N 0.071 120.709 120.400 0.396 0.000 2.163 5094 K HA -0.254 4.068 4.320 0.002 0.000 0.210 5094 K C 2.280 178.929 176.600 0.082 0.000 1.048 5094 K CA 1.409 57.876 56.287 0.299 0.000 0.928 5094 K CB -0.424 32.126 32.500 0.083 0.000 0.716 5094 K HN 0.198 nan 8.250 nan 0.000 0.459 5095 L N 0.412 121.677 121.223 0.071 0.000 2.056 5095 L HA -0.119 4.222 4.340 0.002 0.000 0.207 5095 L C 2.178 179.002 176.870 -0.077 0.000 1.078 5095 L CA 1.232 56.048 54.840 -0.039 0.000 0.749 5095 L CB -0.457 41.623 42.059 0.036 0.000 0.901 5095 L HN 0.091 nan 8.230 nan 0.000 0.433 5096 F N -0.501 119.346 119.950 -0.172 0.000 2.046 5096 F HA -0.326 4.202 4.527 0.002 0.000 0.297 5096 F C 2.089 177.683 175.800 -0.344 0.000 1.123 5096 F CA 2.019 59.818 58.000 -0.336 0.000 1.199 5096 F CB -0.623 38.131 39.000 -0.411 0.000 0.972 5096 F HN 0.112 nan 8.300 nan 0.000 0.474 5097 Y N 0.144 120.542 120.300 0.163 0.000 2.274 5097 Y HA -0.200 4.352 4.550 0.002 0.000 0.290 5097 Y C 2.597 178.439 175.900 -0.096 0.000 1.145 5097 Y CA 1.526 59.666 58.100 0.066 0.000 1.203 5097 Y CB -0.593 38.102 38.460 0.392 0.000 0.984 5097 Y HN 0.105 nan 8.280 nan 0.000 0.533 5098 R N 0.707 121.199 120.500 -0.014 0.000 2.073 5098 R HA -0.161 4.180 4.340 0.002 0.000 0.234 5098 R C 1.824 178.018 176.300 -0.177 0.000 1.134 5098 R CA 1.820 57.850 56.100 -0.116 0.000 0.952 5098 R CB -0.864 29.326 30.300 -0.184 0.000 0.850 5098 R HN 0.265 nan 8.270 nan 0.000 0.433 5099 I N 0.471 120.846 120.570 -0.325 0.000 2.208 5099 I HA -0.252 3.919 4.170 0.002 0.000 0.245 5099 I C 1.907 177.832 176.117 -0.319 0.000 1.097 5099 I CA 0.915 61.948 61.300 -0.444 0.000 1.363 5099 I CB -0.403 37.022 38.000 -0.959 0.000 1.051 5099 I HN 0.233 nan 8.210 nan 0.000 0.413 5100 L N 0.291 121.281 121.223 -0.388 0.000 1.944 5100 L HA -0.303 4.039 4.340 0.002 0.000 0.218 5100 L C 2.624 179.436 176.870 -0.096 0.000 1.075 5100 L CA 1.990 56.670 54.840 -0.266 0.000 0.767 5100 L CB -1.358 40.543 42.059 -0.263 0.000 0.890 5100 L HN 0.375 nan 8.230 nan 0.000 0.434 5101 Q N -1.117 118.655 119.800 -0.048 0.000 2.173 5101 Q HA -0.284 4.057 4.340 0.002 0.000 0.208 5101 Q C 1.821 177.809 176.000 -0.020 0.000 0.989 5101 Q CA 1.704 57.498 55.803 -0.015 0.000 0.872 5101 Q CB -0.484 28.250 28.738 -0.008 0.000 0.909 5101 Q HN 0.537 nan 8.270 nan 0.000 0.420 5102 D N 0.936 121.321 120.400 -0.026 0.000 2.106 5102 D HA -0.135 4.506 4.640 0.002 0.000 0.191 5102 D C 0.535 176.841 176.300 0.010 0.000 0.997 5102 D CA 1.371 55.373 54.000 0.003 0.000 0.834 5102 D CB -0.074 40.769 40.800 0.072 0.000 0.956 5102 D HN 0.096 nan 8.370 nan 0.000 0.448 5103 D N -1.083 119.339 120.400 0.037 0.000 2.861 5103 D HA 0.072 4.713 4.640 0.002 0.000 0.357 5103 D C 1.060 177.379 176.300 0.031 0.000 1.250 5103 D CA -0.375 53.648 54.000 0.038 0.000 0.802 5103 D CB -0.140 40.710 40.800 0.082 0.000 1.141 5103 D HN -0.047 nan 8.370 nan 0.000 0.489 5104 I N 0.986 121.563 120.570 0.011 0.000 2.113 5104 I HA -0.222 3.949 4.170 0.002 0.000 0.242 5104 I C 1.917 178.043 176.117 0.015 0.000 1.064 5104 I CA 1.890 63.195 61.300 0.008 0.000 1.320 5104 I CB -0.033 37.969 38.000 0.003 0.000 1.028 5104 I HN 0.279 nan 8.210 nan 0.000 0.406 5105 E N -0.246 119.962 120.200 0.013 0.000 2.130 5105 E HA -0.230 4.121 4.350 0.002 0.000 0.196 5105 E C 1.990 178.604 176.600 0.023 0.000 0.998 5105 E CA 1.840 58.248 56.400 0.013 0.000 0.806 5105 E CB -0.071 29.639 29.700 0.017 0.000 0.738 5105 E HN 0.704 nan 8.360 nan 0.000 0.459 5106 S N -0.284 115.438 115.700 0.035 0.000 2.456 5106 S HA 0.070 4.541 4.470 0.002 0.000 0.224 5106 S C 0.693 175.331 174.600 0.064 0.000 1.035 5106 S CA -0.209 58.020 58.200 0.048 0.000 0.940 5106 S CB 0.280 63.514 63.200 0.057 0.000 0.799 5106 S HN 0.048 nan 8.310 nan 0.000 0.508 5110 I N 0.841 121.485 120.570 0.123 0.000 2.188 5110 I HA -0.071 4.100 4.170 0.002 0.000 0.237 5110 I C 2.410 178.699 176.117 0.286 0.000 1.073 5110 I CA 0.765 62.171 61.300 0.178 0.000 1.359 5110 I CB -1.046 37.058 38.000 0.174 0.000 1.083 5110 I HN -0.250 nan 8.210 nan 0.000 0.412 5111 V N 0.326 120.388 119.914 0.247 0.000 2.324 5111 V HA -0.280 3.841 4.120 0.002 0.000 0.250 5111 V C 1.582 177.915 176.094 0.398 0.000 1.060 5111 V CA 1.883 64.354 62.300 0.285 0.000 1.042 5111 V CB -0.632 31.287 31.823 0.161 0.000 0.650 5111 V HN 0.349 nan 8.190 nan 0.000 0.450 5112 Y N 0.315 120.698 120.300 0.138 0.000 3.326 5112 Y HA 0.395 4.946 4.550 0.002 0.000 0.306 5112 Y C 1.123 177.050 175.900 0.045 0.000 1.652 5112 Y CA -0.893 57.266 58.100 0.098 0.000 0.810 5112 Y CB 0.125 38.641 38.460 0.093 0.000 1.269 5112 Y HN 0.132 nan 8.280 nan 0.000 0.744 5113 T N 1.992 116.325 114.554 -0.369 0.000 2.940 5113 T HA 0.167 4.518 4.350 0.002 0.000 0.309 5113 T C -2.134 172.481 174.700 -0.142 0.000 1.056 5113 T CA -0.956 60.919 62.100 -0.375 0.000 1.137 5113 T CB 1.045 69.619 68.868 -0.490 0.000 0.976 5113 T HN 0.434 nan 8.240 nan 0.000 0.547 5114 P HA 0.135 nan 4.420 nan 0.000 0.264 5114 P C 1.227 178.442 177.300 -0.142 0.000 1.259 5114 P CA 0.019 63.023 63.100 -0.161 0.000 0.841 5114 P CB 0.002 31.622 31.700 -0.133 0.000 1.232 5115 T N 0.184 114.679 114.554 -0.099 0.000 2.788 5115 T HA -0.136 4.215 4.350 0.002 0.000 0.268 5115 T C 1.829 176.400 174.700 -0.214 0.000 1.044 5115 T CA 1.289 63.321 62.100 -0.114 0.000 1.139 5115 T CB -1.183 67.665 68.868 -0.033 0.000 0.867 5115 T HN -0.060 nan 8.240 nan 0.000 0.454 5116 V N 2.037 121.848 119.914 -0.171 0.000 2.282 5116 V HA -0.176 3.945 4.120 0.002 0.000 0.249 5116 V C 2.569 178.528 176.094 -0.226 0.000 1.057 5116 V CA 2.590 64.775 62.300 -0.192 0.000 1.032 5116 V CB -1.276 30.542 31.823 -0.009 0.000 0.645 5116 V HN 0.565 nan 8.190 nan 0.000 0.447 5117 G N -0.621 108.059 108.800 -0.200 0.000 2.440 5117 G HA2 -0.290 3.671 3.960 0.002 0.000 0.218 5117 G HA3 -0.290 3.671 3.960 0.002 0.000 0.218 5117 G C 1.648 176.449 174.900 -0.166 0.000 1.154 5117 G CA 1.192 46.190 45.100 -0.171 0.000 0.767 5117 G HN 0.552 nan 8.290 nan 0.000 0.552 5118 L N 0.546 121.664 121.223 -0.176 0.000 2.012 5118 L HA -0.072 4.270 4.340 0.002 0.000 0.210 5118 L C 3.211 179.963 176.870 -0.197 0.000 1.073 5118 L CA 1.600 56.343 54.840 -0.161 0.000 0.748 5118 L CB -0.293 41.675 42.059 -0.151 0.000 0.891 5118 L HN 0.314 nan 8.230 nan 0.000 0.431 5119 A N -1.504 121.121 122.820 -0.324 0.000 2.015 5119 A HA -0.217 4.104 4.320 0.002 0.000 0.219 5119 A C 2.290 179.775 177.584 -0.165 0.000 1.163 5119 A CA 1.579 53.379 52.037 -0.395 0.000 0.646 5119 A CB -1.084 17.248 19.000 -1.112 0.000 0.806 5119 A HN 0.635 nan 8.150 nan 0.000 0.448 5120 C N -0.322 118.858 119.300 -0.199 0.000 2.518 5120 C HA -0.040 4.421 4.460 0.002 0.000 0.279 5120 C C 3.126 178.046 174.990 -0.115 0.000 1.279 5120 C CA 1.282 60.163 59.018 -0.228 0.000 1.703 5120 C CB -0.984 26.619 27.740 -0.227 0.000 2.072 5120 C HN 0.707 nan 8.230 nan 0.000 0.487 5121 S N 0.083 115.743 115.700 -0.066 0.000 2.500 5121 S HA -0.143 4.328 4.470 0.002 0.000 0.239 5121 S C 1.332 175.906 174.600 -0.045 0.000 0.989 5121 S CA 1.004 59.208 58.200 0.006 0.000 0.951 5121 S CB -0.337 62.853 63.200 -0.017 0.000 0.759 5121 S HN 0.662 nan 8.310 nan 0.000 0.523 5122 Q N -0.338 119.407 119.800 -0.091 0.000 2.179 5122 Q HA 0.294 4.635 4.340 0.002 0.000 0.213 5122 Q C -0.841 175.136 176.000 -0.039 0.000 0.833 5122 Q CA -0.259 55.489 55.803 -0.091 0.000 0.990 5122 Q CB 0.208 28.895 28.738 -0.085 0.000 1.132 5122 Q HN 0.544 nan 8.270 nan 0.000 0.493 5123 Y N 0.761 120.816 120.300 -0.407 0.000 2.480 5123 Y HA 0.208 4.759 4.550 0.002 0.000 0.338 5123 Y C 1.583 177.149 175.900 -0.557 0.000 1.220 5123 Y CA 1.836 59.675 58.100 -0.435 0.000 1.430 5123 Y CB 0.665 38.785 38.460 -0.565 0.000 1.311 5123 Y HN 0.462 nan 8.280 nan 0.000 0.575 5124 G N 2.247 110.927 108.800 -0.201 0.000 2.189 5124 G HA2 -0.369 3.592 3.960 0.002 0.000 0.267 5124 G HA3 -0.369 3.592 3.960 0.002 0.000 0.267 5124 G C 0.626 175.474 174.900 -0.085 0.000 0.975 5124 G CA 1.042 46.128 45.100 -0.023 0.000 0.644 5124 G HN 0.837 nan 8.290 nan 0.000 0.537 5125 H N -1.060 117.916 119.070 -0.158 0.000 2.735 5125 H HA 0.380 4.937 4.556 0.002 0.000 0.250 5125 H C 2.419 177.653 175.328 -0.158 0.000 0.948 5125 H CA 0.712 56.594 56.048 -0.278 0.000 1.137 5125 H CB 0.254 29.890 29.762 -0.210 0.000 1.440 5125 H HN 0.510 nan 8.280 nan 0.000 0.444 5126 I N -2.175 118.426 120.570 0.052 0.000 4.018 5126 I HA 0.193 4.364 4.170 0.002 0.000 0.337 5126 I C 0.098 176.234 176.117 0.033 0.000 1.327 5126 I CA -0.397 60.932 61.300 0.049 0.000 1.100 5126 I CB 0.008 38.060 38.000 0.086 0.000 1.025 5126 I HN -0.073 nan 8.210 nan 0.000 0.396 5127 F N 2.855 122.708 119.950 -0.162 0.000 2.635 5127 F HA 0.025 4.553 4.527 0.002 0.000 0.379 5127 F C 1.189 176.919 175.800 -0.116 0.000 1.094 5127 F CA 0.612 58.485 58.000 -0.212 0.000 1.300 5127 F CB 0.499 39.349 39.000 -0.249 0.000 1.035 5127 F HN -0.000 nan 8.300 nan 0.000 0.581 5128 R N 2.923 122.878 120.500 -0.907 0.000 2.977 5128 R HA 0.379 4.720 4.340 0.002 0.000 0.161 5128 R C -0.585 175.259 176.300 -0.760 0.000 0.805 5128 R CA 0.243 55.997 56.100 -0.576 0.000 1.044 5128 R CB 0.374 30.491 30.300 -0.306 0.000 1.433 5128 R HN 0.632 nan 8.270 nan 0.000 0.570 5129 R N 0.595 120.581 120.500 -0.856 0.000 2.771 5129 R HA 0.452 4.793 4.340 0.002 0.000 0.274 5129 R C -2.556 173.449 176.300 -0.492 0.000 0.987 5129 R CA -1.905 53.877 56.100 -0.529 0.000 0.908 5129 R CB 1.848 31.993 30.300 -0.258 0.000 1.213 5129 R HN 0.045 nan 8.270 nan 0.000 0.468 5130 P HA 0.146 nan 4.420 nan 0.000 0.274 5130 P C -0.493 176.895 177.300 0.147 0.000 1.231 5130 P CA -0.309 62.865 63.100 0.124 0.000 0.790 5130 P CB 1.277 33.092 31.700 0.191 0.000 0.951 5131 K N 0.775 121.351 120.400 0.294 0.000 2.309 5131 K HA 0.252 4.573 4.320 0.002 0.000 0.210 5131 K C 1.300 178.058 176.600 0.264 0.000 1.114 5131 K CA 0.688 57.098 56.287 0.205 0.000 0.912 5131 K CB -0.339 32.242 32.500 0.136 0.000 1.198 5131 K HN 0.641 nan 8.250 nan 0.000 0.471 5132 G N 1.138 110.031 108.800 0.155 0.000 3.135 5132 G HA2 0.454 4.415 3.960 0.002 0.000 0.159 5132 G HA3 0.454 4.415 3.960 0.002 0.000 0.159 5132 G C -1.145 173.689 174.900 -0.109 0.000 1.244 5132 G CA -0.397 44.658 45.100 -0.076 0.000 0.965 5132 G HN -0.019 nan 8.290 nan 0.000 0.599 5133 L N -0.200 120.738 121.223 -0.475 0.000 2.375 5133 L HA 0.662 5.003 4.340 0.002 0.000 0.271 5133 L C -1.247 175.344 176.870 -0.465 0.000 1.107 5133 L CA -0.808 53.872 54.840 -0.267 0.000 0.806 5133 L CB 0.919 42.766 42.059 -0.352 0.000 1.146 5133 L HN 0.279 nan 8.230 nan 0.000 0.447 5134 F N 4.938 124.853 119.950 -0.059 0.000 2.646 5134 F HA 0.445 4.973 4.527 0.002 0.000 0.364 5134 F C -0.166 175.588 175.800 -0.077 0.000 1.137 5134 F CA -0.440 57.517 58.000 -0.071 0.000 1.085 5134 F CB 0.733 39.719 39.000 -0.023 0.000 1.331 5134 F HN 0.147 nan 8.300 nan 0.000 0.472 5135 I N 2.543 123.099 120.570 -0.023 0.000 2.315 5135 I HA 0.353 4.524 4.170 0.002 0.000 0.291 5135 I C 0.265 176.365 176.117 -0.030 0.000 1.006 5135 I CA -0.159 61.113 61.300 -0.047 0.000 1.265 5135 I CB 1.385 39.274 38.000 -0.185 0.000 1.387 5135 I HN 0.552 nan 8.210 nan 0.000 0.475 5136 S N 5.527 121.238 115.700 0.019 0.000 2.621 5136 S HA 0.386 4.858 4.470 0.002 0.000 0.302 5136 S C 0.936 175.558 174.600 0.038 0.000 1.093 5136 S CA -0.668 57.547 58.200 0.025 0.000 1.017 5136 S CB 1.365 64.582 63.200 0.028 0.000 1.077 5136 S HN 0.611 nan 8.310 nan 0.000 0.517 5137 I N 3.236 123.838 120.570 0.052 0.000 2.264 5137 I HA -0.097 4.075 4.170 0.002 0.000 0.248 5137 I C 2.002 178.161 176.117 0.070 0.000 1.111 5137 I CA 1.720 63.062 61.300 0.071 0.000 1.382 5137 I CB -0.408 37.645 38.000 0.089 0.000 1.060 5137 I HN 0.735 nan 8.210 nan 0.000 0.418 5138 S N 0.268 116.006 115.700 0.062 0.000 2.584 5138 S HA -0.115 4.356 4.470 0.002 0.000 0.240 5138 S C 0.942 175.600 174.600 0.096 0.000 0.975 5138 S CA 0.976 59.216 58.200 0.066 0.000 0.949 5138 S CB -0.492 62.734 63.200 0.044 0.000 0.761 5138 S HN 0.524 nan 8.310 nan 0.000 0.536 5139 D N 0.881 121.347 120.400 0.110 0.000 2.513 5139 D HA 0.059 4.700 4.640 0.002 0.000 0.222 5139 D C 0.327 176.741 176.300 0.190 0.000 1.210 5139 D CA -0.167 53.940 54.000 0.178 0.000 0.825 5139 D CB 0.350 41.223 40.800 0.120 0.000 1.037 5139 D HN 0.493 nan 8.370 nan 0.000 0.506 5140 R N -0.093 120.473 120.500 0.111 0.000 2.486 5140 R HA 0.309 4.650 4.340 0.002 0.000 0.303 5140 R C 0.957 177.212 176.300 -0.076 0.000 0.958 5140 R CA 0.967 57.090 56.100 0.038 0.000 1.077 5140 R CB -0.037 30.287 30.300 0.040 0.000 0.921 5140 R HN -0.027 nan 8.270 nan 0.000 0.406 5141 G N 1.993 110.711 108.800 -0.136 0.000 2.176 5141 G HA2 -0.234 3.727 3.960 0.002 0.000 0.232 5141 G HA3 -0.234 3.727 3.960 0.002 0.000 0.232 5141 G C 0.392 175.000 174.900 -0.486 0.000 0.986 5141 G CA 0.170 45.082 45.100 -0.313 0.000 0.643 5141 G HN 0.802 nan 8.290 nan 0.000 0.522 5142 H N -0.981 118.108 119.070 0.031 0.000 3.440 5142 H HA 0.258 4.815 4.556 0.002 0.000 0.259 5142 H C 2.467 177.818 175.328 0.039 0.000 1.120 5142 H CA 0.529 56.596 56.048 0.031 0.000 1.191 5142 H CB 0.118 29.898 29.762 0.029 0.000 1.537 5142 H HN 0.207 nan 8.280 nan 0.000 0.547 5143 V N 2.022 122.013 119.914 0.129 0.000 2.313 5143 V HA -0.400 3.721 4.120 0.002 0.000 0.261 5143 V C 2.836 178.995 176.094 0.110 0.000 1.096 5143 V CA 2.529 64.898 62.300 0.115 0.000 1.090 5143 V CB -0.535 31.356 31.823 0.114 0.000 0.683 5143 V HN 0.243 nan 8.190 nan 0.000 0.452 5144 R N 1.520 122.069 120.500 0.081 0.000 2.113 5144 R HA -0.199 4.142 4.340 0.002 0.000 0.231 5144 R C 2.666 179.010 176.300 0.074 0.000 1.129 5144 R CA 2.619 58.754 56.100 0.059 0.000 0.915 5144 R CB -1.417 28.904 30.300 0.035 0.000 0.837 5144 R HN 0.713 nan 8.270 nan 0.000 0.430 5145 S N 0.007 115.761 115.700 0.090 0.000 2.372 5145 S HA -0.241 4.231 4.470 0.002 0.000 0.227 5145 S C 2.249 176.904 174.600 0.091 0.000 1.044 5145 S CA 1.804 60.054 58.200 0.083 0.000 1.050 5145 S CB -0.898 62.358 63.200 0.094 0.000 0.901 5145 S HN 0.400 nan 8.310 nan 0.000 0.447 5146 I N 1.390 122.026 120.570 0.109 0.000 2.091 5146 I HA -0.177 3.995 4.170 0.002 0.000 0.239 5146 I C 2.553 178.759 176.117 0.148 0.000 1.061 5146 I CA 1.521 62.893 61.300 0.120 0.000 1.317 5146 I CB -0.535 37.535 38.000 0.118 0.000 1.031 5146 I HN 0.205 nan 8.210 nan 0.000 0.401 5147 V N 0.509 120.507 119.914 0.140 0.000 2.546 5147 V HA -0.317 3.804 4.120 0.002 0.000 0.254 5147 V C 1.710 177.916 176.094 0.186 0.000 1.076 5147 V CA 1.877 64.279 62.300 0.170 0.000 1.087 5147 V CB -0.725 31.178 31.823 0.133 0.000 0.674 5147 V HN 0.437 nan 8.190 nan 0.000 0.470 5148 D N -0.525 119.947 120.400 0.119 0.000 2.347 5148 D HA -0.049 4.592 4.640 0.002 0.000 0.213 5148 D C 1.919 178.292 176.300 0.121 0.000 0.985 5148 D CA 0.354 54.405 54.000 0.084 0.000 0.879 5148 D CB -0.179 40.641 40.800 0.035 0.000 0.919 5148 D HN 0.370 nan 8.370 nan 0.000 0.526 5149 N N -0.025 118.770 118.700 0.158 0.000 2.270 5149 N HA -0.119 4.622 4.740 0.002 0.000 0.181 5149 N C 0.444 176.069 175.510 0.192 0.000 1.016 5149 N CA 0.143 53.282 53.050 0.148 0.000 0.870 5149 N CB -0.146 38.431 38.487 0.150 0.000 0.979 5149 N HN 0.356 nan 8.380 nan 0.000 0.431 5150 W N 3.094 124.442 121.300 0.080 0.000 2.476 5150 W HA -0.048 4.613 4.660 0.002 0.000 0.338 5150 W C -1.463 175.108 176.519 0.085 0.000 1.328 5150 W CA -1.100 56.299 57.345 0.090 0.000 1.300 5150 W CB 0.612 30.154 29.460 0.137 0.000 1.252 5150 W HN 0.172 nan 8.180 nan 0.000 0.568 5151 P HA -0.220 nan 4.420 nan 0.000 0.213 5151 P C -0.073 177.068 177.300 -0.265 0.000 1.170 5151 P CA 1.589 64.446 63.100 -0.404 0.000 0.902 5151 P CB 0.039 31.431 31.700 -0.512 0.000 0.789 5152 E N 0.215 120.172 120.200 -0.404 0.000 2.694 5152 E HA -0.077 4.275 4.350 0.002 0.000 0.250 5152 E C 1.211 177.958 176.600 0.244 0.000 0.963 5152 E CA 0.401 56.793 56.400 -0.014 0.000 0.949 5152 E CB -0.510 29.278 29.700 0.146 0.000 0.911 5152 E HN 0.086 nan 8.360 nan 0.000 0.500 5153 N N 1.663 120.485 118.700 0.202 0.000 2.290 5153 N HA -0.103 4.639 4.740 0.002 0.000 0.179 5153 N C -0.171 175.586 175.510 0.411 0.000 1.016 5153 N CA 0.683 53.879 53.050 0.243 0.000 0.871 5153 N CB 0.078 38.625 38.487 0.101 0.000 0.987 5153 N HN 0.399 nan 8.380 nan 0.000 0.431 5154 H N 0.633 119.838 119.070 0.224 0.000 2.556 5154 H HA 0.443 5.000 4.556 0.002 0.000 0.310 5154 H C -1.043 174.343 175.328 0.097 0.000 1.057 5154 H CA -0.538 55.626 56.048 0.194 0.000 1.264 5154 H CB 0.396 30.217 29.762 0.098 0.000 1.404 5154 H HN -0.316 nan 8.280 nan 0.000 0.462 5155 V N 6.472 126.489 119.914 0.172 0.000 2.588 5155 V HA 0.274 4.395 4.120 0.002 0.000 0.304 5155 V C 0.372 176.345 176.094 -0.203 0.000 1.042 5155 V CA -0.729 61.413 62.300 -0.264 0.000 0.877 5155 V CB 2.009 33.269 31.823 -0.938 0.000 0.996 5155 V HN 0.688 nan 8.190 nan 0.000 0.425 5156 K N 2.150 122.424 120.400 -0.211 0.000 2.474 5156 K HA 0.488 4.809 4.320 0.002 0.000 0.202 5156 K C 0.306 176.835 176.600 -0.119 0.000 1.248 5156 K CA 0.476 56.678 56.287 -0.142 0.000 0.946 5156 K CB 1.665 34.080 32.500 -0.142 0.000 1.102 5156 K HN 0.661 nan 8.250 nan 0.000 0.541 5157 A N 1.410 124.129 122.820 -0.168 0.000 2.371 5157 A HA 0.686 5.008 4.320 0.002 0.000 0.311 5157 A C -0.807 176.598 177.584 -0.298 0.000 1.068 5157 A CA -0.534 51.407 52.037 -0.160 0.000 0.744 5157 A CB 1.586 20.523 19.000 -0.105 0.000 1.239 5157 A HN -0.106 nan 8.150 nan 0.000 0.435 5158 V N 1.809 121.543 119.914 -0.300 0.000 2.876 5158 V HA 0.662 4.783 4.120 0.002 0.000 0.312 5158 V C -0.777 175.094 176.094 -0.372 0.000 1.085 5158 V CA -0.552 61.533 62.300 -0.358 0.000 0.945 5158 V CB 2.127 33.757 31.823 -0.322 0.000 1.017 5158 V HN 0.754 nan 8.190 nan 0.000 0.428 5159 V N 3.792 123.470 119.914 -0.394 0.000 2.623 5159 V HA 0.676 4.797 4.120 0.002 0.000 0.304 5159 V C -0.571 175.313 176.094 -0.349 0.000 1.054 5159 V CA -0.572 61.504 62.300 -0.373 0.000 0.882 5159 V CB 1.920 33.506 31.823 -0.396 0.000 1.002 5159 V HN 0.682 nan 8.190 nan 0.000 0.424 5160 V N 1.943 121.656 119.914 -0.336 0.000 2.960 5160 V HA 0.971 5.093 4.120 0.002 0.000 0.315 5160 V C -0.153 175.773 176.094 -0.281 0.000 1.087 5160 V CA -0.522 61.570 62.300 -0.348 0.000 0.982 5160 V CB 1.922 33.504 31.823 -0.402 0.000 1.039 5160 V HN 0.938 nan 8.190 nan 0.000 0.437 5161 T N -0.174 114.132 114.554 -0.414 0.000 2.739 5161 T HA 0.471 4.822 4.350 0.002 0.000 0.303 5161 T C -1.424 172.835 174.700 -0.735 0.000 1.389 5161 T CA 0.281 61.972 62.100 -0.683 0.000 1.001 5161 T CB 2.171 70.776 68.868 -0.439 0.000 1.436 5161 T HN 1.021 nan 8.240 nan 0.000 0.500 5162 D N -0.449 119.431 120.400 -0.867 0.000 2.538 5162 D HA 0.228 4.869 4.640 0.002 0.000 0.241 5162 D C 1.173 177.295 176.300 -0.296 0.000 1.297 5162 D CA 0.626 54.360 54.000 -0.444 0.000 0.804 5162 D CB -0.300 40.340 40.800 -0.267 0.000 1.122 5162 D HN 1.307 nan 8.370 nan 0.000 0.519 5163 G N 1.787 110.383 108.800 -0.340 0.000 2.366 5163 G HA2 -0.366 3.596 3.960 0.002 0.000 0.299 5163 G HA3 -0.366 3.596 3.960 0.002 0.000 0.299 5163 G C 0.517 175.337 174.900 -0.133 0.000 1.020 5163 G CA 0.730 45.713 45.100 -0.196 0.000 1.026 5163 G HN 0.486 nan 8.290 nan 0.000 0.512 5164 E N -0.798 119.324 120.200 -0.130 0.000 2.385 5164 E HA 0.134 4.485 4.350 0.002 0.000 0.194 5164 E C 1.503 178.083 176.600 -0.032 0.000 1.013 5164 E CA 0.089 56.456 56.400 -0.053 0.000 0.866 5164 E CB 0.144 29.850 29.700 0.009 0.000 0.832 5164 E HN 0.462 nan 8.360 nan 0.000 0.500 5165 R N 1.097 121.572 120.500 -0.042 0.000 2.734 5165 R HA 0.180 4.522 4.340 0.002 0.000 0.242 5165 R C -1.041 175.232 176.300 -0.046 0.000 1.617 5165 R CA -0.386 55.699 56.100 -0.026 0.000 1.572 5165 R CB 0.684 30.991 30.300 0.012 0.000 1.477 5165 R HN 0.079 nan 8.270 nan 0.000 0.707 5166 I N 4.082 124.614 120.570 -0.064 0.000 2.577 5166 I HA -0.018 4.154 4.170 0.002 0.000 0.299 5166 I C 1.308 177.384 176.117 -0.069 0.000 1.157 5166 I CA 0.871 62.126 61.300 -0.074 0.000 1.418 5166 I CB -1.316 36.636 38.000 -0.080 0.000 1.467 5166 I HN 0.531 nan 8.210 nan 0.000 0.624 5167 L N 4.319 125.504 121.223 -0.063 0.000 7.381 5167 L HA -0.295 4.046 4.340 0.002 0.000 0.062 5167 L C 1.571 178.404 176.870 -0.061 0.000 1.359 5167 L CA 0.995 55.792 54.840 -0.071 0.000 1.578 5167 L CB -1.555 40.441 42.059 -0.105 0.000 2.791 5167 L HN 0.552 nan 8.230 nan 0.000 1.130 5168 G N -0.746 108.012 108.800 -0.069 0.000 2.990 5168 G HA2 0.284 4.246 3.960 0.002 0.000 0.206 5168 G HA3 0.284 4.246 3.960 0.002 0.000 0.206 5168 G C 0.853 175.719 174.900 -0.056 0.000 1.169 5168 G CA 0.453 45.517 45.100 -0.059 0.000 0.819 5168 G HN 0.266 nan 8.290 nan 0.000 0.517 5169 L N -0.320 120.868 121.223 -0.059 0.000 2.554 5169 L HA 0.385 4.726 4.340 0.002 0.000 0.225 5169 L C 1.761 178.603 176.870 -0.046 0.000 1.104 5169 L CA 0.815 55.624 54.840 -0.053 0.000 0.866 5169 L CB -0.539 41.486 42.059 -0.057 0.000 1.047 5169 L HN 0.352 nan 8.230 nan 0.000 0.468 5170 G N -0.339 108.434 108.800 -0.045 0.000 2.542 5170 G HA2 -0.309 3.652 3.960 0.002 0.000 0.235 5170 G HA3 -0.309 3.652 3.960 0.002 0.000 0.235 5170 G C -0.366 174.504 174.900 -0.049 0.000 1.286 5170 G CA -0.147 44.928 45.100 -0.041 0.000 0.904 5170 G HN 0.174 nan 8.290 nan 0.000 0.577 5171 D N 1.044 121.413 120.400 -0.053 0.000 2.356 5171 D HA 0.281 4.922 4.640 0.002 0.000 0.272 5171 D C 1.531 177.779 176.300 -0.087 0.000 1.337 5171 D CA 0.200 54.160 54.000 -0.068 0.000 0.970 5171 D CB 0.032 40.790 40.800 -0.071 0.000 1.092 5171 D HN 0.400 nan 8.370 nan 0.000 0.516 5172 L N 2.710 123.890 121.223 -0.071 0.000 2.664 5172 L HA 0.249 4.590 4.340 0.002 0.000 0.233 5172 L C 1.469 178.306 176.870 -0.056 0.000 1.113 5172 L CA 0.300 55.108 54.840 -0.052 0.000 0.896 5172 L CB -0.359 41.708 42.059 0.012 0.000 1.163 5172 L HN 0.665 nan 8.230 nan 0.000 0.497 5173 G N 0.575 109.352 108.800 -0.040 0.000 2.645 5173 G HA2 -0.349 3.612 3.960 0.002 0.000 0.246 5173 G HA3 -0.349 3.612 3.960 0.002 0.000 0.246 5173 G C 0.789 175.789 174.900 0.167 0.000 1.322 5173 G CA 0.229 45.371 45.100 0.071 0.000 0.898 5173 G HN 0.227 nan 8.290 nan 0.000 0.573 5174 V N -2.592 117.482 119.914 0.265 0.000 2.764 5174 V HA -0.226 3.895 4.120 0.002 0.000 0.261 5174 V C 2.142 178.506 176.094 0.451 0.000 1.108 5174 V CA 2.791 65.256 62.300 0.274 0.000 1.129 5174 V CB -1.267 30.677 31.823 0.202 0.000 0.701 5174 V HN 0.732 nan 8.190 nan 0.000 0.495 5175 Y N 1.669 122.137 120.300 0.280 0.000 2.483 5175 Y HA 0.114 4.665 4.550 0.002 0.000 0.291 5175 Y C 2.096 177.857 175.900 -0.231 0.000 1.143 5175 Y CA -0.153 58.062 58.100 0.192 0.000 1.289 5175 Y CB -0.161 38.404 38.460 0.175 0.000 0.983 5175 Y HN 0.527 nan 8.280 nan 0.000 0.556 5179 I N 2.419 122.944 120.570 -0.076 0.000 2.094 5179 I HA -0.180 3.991 4.170 0.002 0.000 0.236 5179 I C -0.079 176.005 176.117 -0.055 0.000 1.016 5179 I CA 2.395 63.711 61.300 0.027 0.000 1.294 5179 I CB -2.143 35.856 38.000 -0.002 0.000 1.006 5179 I HN 0.129 nan 8.210 nan 0.000 0.397 5180 P HA -0.133 nan 4.420 nan 0.000 0.216 5180 P C 2.208 179.392 177.300 -0.193 0.000 1.154 5180 P CA 1.317 64.290 63.100 -0.211 0.000 0.865 5180 P CB -0.090 31.453 31.700 -0.262 0.000 0.789 5181 V N -0.161 119.679 119.914 -0.123 0.000 2.287 5181 V HA -0.222 3.899 4.120 0.002 0.000 0.248 5181 V C 2.590 178.654 176.094 -0.051 0.000 1.053 5181 V CA 2.621 64.878 62.300 -0.072 0.000 1.027 5181 V CB -1.842 29.992 31.823 0.018 0.000 0.646 5181 V HN 0.202 nan 8.190 nan 0.000 0.447 5182 G N -0.909 107.876 108.800 -0.026 0.000 2.402 5182 G HA2 -0.285 3.676 3.960 0.002 0.000 0.216 5182 G HA3 -0.285 3.676 3.960 0.002 0.000 0.216 5182 G C 1.633 176.391 174.900 -0.235 0.000 1.162 5182 G CA 0.946 46.018 45.100 -0.048 0.000 0.777 5182 G HN 0.471 nan 8.290 nan 0.000 0.539 5183 K N -0.624 119.557 120.400 -0.366 0.000 2.103 5183 K HA -0.013 4.308 4.320 0.002 0.000 0.207 5183 K C 2.236 178.810 176.600 -0.043 0.000 1.048 5183 K CA 0.728 56.824 56.287 -0.318 0.000 0.930 5183 K CB -0.170 32.133 32.500 -0.328 0.000 0.716 5183 K HN 0.179 nan 8.250 nan 0.000 0.444 5184 L N 0.366 121.493 121.223 -0.160 0.000 2.291 5184 L HA -0.112 4.229 4.340 0.002 0.000 0.214 5184 L C 2.005 178.918 176.870 0.072 0.000 1.120 5184 L CA 1.113 55.848 54.840 -0.175 0.000 0.799 5184 L CB -0.822 41.077 42.059 -0.266 0.000 0.925 5184 L HN 0.319 nan 8.230 nan 0.000 0.446 5185 C N -0.873 118.508 119.300 0.136 0.000 2.435 5185 C HA -0.120 4.341 4.460 0.002 0.000 0.279 5185 C C 2.671 177.866 174.990 0.342 0.000 1.321 5185 C CA 0.452 59.675 59.018 0.341 0.000 1.752 5185 C CB -0.689 27.216 27.740 0.276 0.000 1.959 5185 C HN 0.442 nan 8.230 nan 0.000 0.500 5186 L N -1.722 119.646 121.223 0.242 0.000 2.162 5186 L HA -0.021 4.320 4.340 0.002 0.000 0.205 5186 L C 2.409 179.440 176.870 0.268 0.000 1.086 5186 L CA 1.091 56.068 54.840 0.228 0.000 0.778 5186 L CB -0.865 41.311 42.059 0.194 0.000 0.928 5186 L HN 0.215 nan 8.230 nan 0.000 0.446 5187 Y N 1.409 121.790 120.300 0.134 0.000 2.081 5187 Y HA -0.306 4.245 4.550 0.002 0.000 0.280 5187 Y C 2.931 178.844 175.900 0.022 0.000 1.163 5187 Y CA 2.071 60.231 58.100 0.100 0.000 1.135 5187 Y CB -1.142 37.362 38.460 0.073 0.000 0.970 5187 Y HN 0.164 nan 8.280 nan 0.000 0.498 5188 T N -0.244 114.415 114.554 0.176 0.000 2.614 5188 T HA -0.225 4.126 4.350 0.002 0.000 0.263 5188 T C 2.219 176.957 174.700 0.063 0.000 1.055 5188 T CA 1.615 63.700 62.100 -0.025 0.000 1.162 5188 T CB -0.981 67.675 68.868 -0.354 0.000 0.863 5188 T HN 0.399 nan 8.240 nan 0.000 0.414 5189 A N 0.595 123.528 122.820 0.189 0.000 1.883 5189 A HA -0.134 4.187 4.320 0.002 0.000 0.217 5189 A C 2.705 180.353 177.584 0.106 0.000 1.186 5189 A CA 1.766 53.931 52.037 0.213 0.000 0.624 5189 A CB -1.313 17.839 19.000 0.254 0.000 0.822 5189 A HN 0.657 nan 8.150 nan 0.000 0.444 5190 C N -1.908 117.433 119.300 0.068 0.000 2.485 5190 C HA 0.380 4.842 4.460 0.002 0.000 0.278 5190 C C 3.072 178.049 174.990 -0.022 0.000 1.356 5190 C CA 0.638 59.654 59.018 -0.003 0.000 1.747 5190 C CB -0.748 26.951 27.740 -0.069 0.000 2.001 5190 C HN 0.706 nan 8.230 nan 0.000 0.501 5191 A N -0.997 121.818 122.820 -0.009 0.000 1.970 5191 A HA 0.517 4.838 4.320 0.002 0.000 0.204 5191 A C 1.698 179.288 177.584 0.010 0.000 1.325 5191 A CA 1.263 53.285 52.037 -0.024 0.000 0.767 5191 A CB -0.385 18.580 19.000 -0.058 0.000 0.949 5191 A HN 1.058 nan 8.150 nan 0.000 0.481 5192 G N -1.040 107.786 108.800 0.043 0.000 2.151 5192 G HA2 -0.072 3.889 3.960 0.002 0.000 0.140 5192 G HA3 -0.072 3.889 3.960 0.002 0.000 0.140 5192 G C -0.092 174.847 174.900 0.065 0.000 1.020 5192 G CA -0.117 45.031 45.100 0.080 0.000 0.688 5192 G HN 0.305 nan 8.290 nan 0.000 0.500 5193 I N 1.780 122.359 120.570 0.014 0.000 2.588 5193 I HA 0.259 4.430 4.170 0.002 0.000 0.283 5193 I C 1.296 177.293 176.117 -0.199 0.000 1.119 5193 I CA -0.336 60.941 61.300 -0.038 0.000 1.419 5193 I CB 0.537 38.563 38.000 0.042 0.000 1.394 5193 I HN 0.021 nan 8.210 nan 0.000 0.562 5194 R N 8.232 128.574 120.500 -0.262 0.000 2.404 5194 R HA 0.069 4.410 4.340 0.002 0.000 0.315 5194 R C -1.439 174.557 176.300 -0.506 0.000 1.032 5194 R CA -1.173 54.612 56.100 -0.525 0.000 0.992 5194 R CB 0.232 30.310 30.300 -0.369 0.000 0.959 5194 R HN 0.431 nan 8.270 nan 0.000 0.428 5195 P HA -0.207 nan 4.420 nan 0.000 0.217 5195 P C 0.167 177.310 177.300 -0.262 0.000 1.148 5195 P CA 1.466 64.274 63.100 -0.486 0.000 0.834 5195 P CB 0.206 31.541 31.700 -0.609 0.000 0.783 5196 D N -1.253 118.991 120.400 -0.260 0.000 2.347 5196 D HA -0.073 4.568 4.640 0.002 0.000 0.213 5196 D C 1.385 177.643 176.300 -0.070 0.000 0.985 5196 D CA 0.490 54.426 54.000 -0.106 0.000 0.879 5196 D CB -0.669 40.073 40.800 -0.098 0.000 0.919 5196 D HN 0.098 nan 8.370 nan 0.000 0.526 5197 R N 0.103 120.507 120.500 -0.159 0.000 2.356 5197 R HA 0.241 4.583 4.340 0.002 0.000 0.234 5197 R C -0.131 176.051 176.300 -0.196 0.000 0.929 5197 R CA -0.279 55.717 56.100 -0.172 0.000 1.084 5197 R CB -0.895 29.276 30.300 -0.214 0.000 1.105 5197 R HN 0.222 nan 8.270 nan 0.000 0.515 5198 C N 0.385 119.576 119.300 -0.181 0.000 2.595 5198 C HA 0.786 5.247 4.460 0.002 0.000 0.338 5198 C C -0.337 174.497 174.990 -0.259 0.000 1.219 5198 C CA -1.187 57.684 59.018 -0.245 0.000 1.811 5198 C CB 1.592 29.179 27.740 -0.255 0.000 2.313 5198 C HN 0.396 nan 8.230 nan 0.000 0.499 5199 L N 2.929 123.915 121.223 -0.395 0.000 2.737 5199 L HA 0.569 4.910 4.340 0.002 0.000 0.261 5199 L C -2.995 173.559 176.870 -0.527 0.000 0.949 5199 L CA -0.952 53.548 54.840 -0.567 0.000 0.952 5199 L CB 1.961 43.520 42.059 -0.834 0.000 1.337 5199 L HN 0.485 nan 8.230 nan 0.000 0.430 5200 P HA 0.463 nan 4.420 nan 0.000 0.294 5200 P C -1.311 175.690 177.300 -0.498 0.000 1.294 5200 P CA -0.351 62.490 63.100 -0.431 0.000 0.827 5200 P CB 2.134 33.632 31.700 -0.336 0.000 0.992 5201 V N 3.188 122.824 119.914 -0.464 0.000 2.680 5201 V HA 0.461 4.582 4.120 0.002 0.000 0.309 5201 V C -0.162 175.625 176.094 -0.511 0.000 1.052 5201 V CA -0.486 61.510 62.300 -0.508 0.000 0.908 5201 V CB 2.408 33.960 31.823 -0.451 0.000 1.001 5201 V HN 0.756 nan 8.190 nan 0.000 0.431 5202 C N 6.030 125.000 119.300 -0.550 0.000 2.441 5202 C HA 0.687 5.148 4.460 0.002 0.000 0.318 5202 C C -0.712 174.067 174.990 -0.352 0.000 1.222 5202 C CA -0.468 58.288 59.018 -0.436 0.000 1.474 5202 C CB 0.230 27.720 27.740 -0.418 0.000 2.125 5202 C HN 0.787 nan 8.230 nan 0.000 0.479 5203 I N 4.853 125.245 120.570 -0.296 0.000 2.382 5203 I HA 0.286 4.457 4.170 0.002 0.000 0.286 5203 I C -0.766 175.304 176.117 -0.079 0.000 1.002 5203 I CA 0.067 61.237 61.300 -0.216 0.000 1.135 5203 I CB 1.475 39.319 38.000 -0.260 0.000 1.288 5203 I HN 0.640 nan 8.210 nan 0.000 0.448 5204 D N 6.486 126.871 120.400 -0.024 0.000 2.373 5204 D HA 0.302 4.943 4.640 0.002 0.000 0.227 5204 D C 0.427 176.748 176.300 0.036 0.000 1.091 5204 D CA -0.357 53.649 54.000 0.010 0.000 0.840 5204 D CB 1.441 42.246 40.800 0.007 0.000 1.060 5204 D HN 0.338 nan 8.370 nan 0.000 0.502 5205 V N 1.944 121.890 119.914 0.053 0.000 3.121 5205 V HA 0.697 4.818 4.120 0.002 0.000 0.344 5205 V C 1.029 177.138 176.094 0.024 0.000 1.390 5205 V CA 0.104 62.443 62.300 0.064 0.000 1.177 5205 V CB -0.543 31.339 31.823 0.098 0.000 1.163 5205 V HN 0.727 nan 8.190 nan 0.000 0.484 5206 G N 0.112 108.926 108.800 0.023 0.000 2.627 5206 G HA2 0.131 4.092 3.960 0.002 0.000 0.214 5206 G HA3 0.131 4.092 3.960 0.002 0.000 0.214 5206 G C -0.328 174.581 174.900 0.015 0.000 1.331 5206 G CA 0.230 45.346 45.100 0.026 0.000 0.891 5206 G HN 1.207 nan 8.290 nan 0.000 0.539 5207 T N -2.548 112.002 114.554 -0.006 0.000 2.671 5207 T HA 0.648 4.999 4.350 0.002 0.000 0.300 5207 T C -0.713 173.948 174.700 -0.066 0.000 1.238 5207 T CA 0.688 62.755 62.100 -0.053 0.000 1.020 5207 T CB 1.721 70.520 68.868 -0.116 0.000 1.503 5207 T HN 0.514 nan 8.240 nan 0.000 0.497 5208 D N 0.406 120.756 120.400 -0.085 0.000 2.480 5208 D HA 0.172 4.813 4.640 0.002 0.000 0.243 5208 D C 0.114 176.364 176.300 -0.083 0.000 1.120 5208 D CA -0.114 53.846 54.000 -0.067 0.000 0.835 5208 D CB 0.175 40.944 40.800 -0.051 0.000 1.204 5208 D HN 0.427 nan 8.370 nan 0.000 0.513 5209 N N 2.844 121.469 118.700 -0.125 0.000 2.400 5209 N HA -0.040 4.701 4.740 0.002 0.000 0.278 5209 N C 1.419 176.842 175.510 -0.145 0.000 1.247 5209 N CA -0.022 52.946 53.050 -0.137 0.000 0.970 5209 N CB 0.217 38.596 38.487 -0.180 0.000 1.312 5209 N HN -0.038 nan 8.380 nan 0.000 0.488 5210 I N 2.511 123.029 120.570 -0.087 0.000 2.145 5210 I HA -0.329 3.842 4.170 0.002 0.000 0.244 5210 I C 2.248 178.323 176.117 -0.070 0.000 1.075 5210 I CA 1.246 62.509 61.300 -0.060 0.000 1.332 5210 I CB -2.094 35.888 38.000 -0.031 0.000 1.033 5210 I HN 0.495 nan 8.210 nan 0.000 0.410 5211 A N 1.238 124.015 122.820 -0.071 0.000 1.940 5211 A HA -0.223 4.098 4.320 0.002 0.000 0.221 5211 A C 2.480 180.009 177.584 -0.091 0.000 1.190 5211 A CA 2.074 54.077 52.037 -0.056 0.000 0.647 5211 A CB -1.005 17.965 19.000 -0.050 0.000 0.821 5211 A HN 0.499 nan 8.150 nan 0.000 0.457 5212 L N -1.196 119.893 121.223 -0.225 0.000 2.131 5212 L HA -0.003 4.338 4.340 0.002 0.000 0.206 5212 L C 1.876 178.533 176.870 -0.354 0.000 1.087 5212 L CA 0.467 55.039 54.840 -0.448 0.000 0.767 5212 L CB -0.343 41.168 42.059 -0.914 0.000 0.917 5212 L HN 0.321 nan 8.230 nan 0.000 0.441 5213 L N 0.702 121.795 121.223 -0.216 0.000 2.784 5213 L HA -0.136 4.205 4.340 0.002 0.000 0.247 5213 L C 1.263 178.271 176.870 0.231 0.000 1.162 5213 L CA 0.927 55.783 54.840 0.026 0.000 0.881 5213 L CB -0.482 41.596 42.059 0.032 0.000 1.032 5213 L HN 0.407 nan 8.230 nan 0.000 0.446 5214 K N -2.731 117.762 120.400 0.156 0.000 2.582 5214 K HA 0.182 4.503 4.320 0.002 0.000 0.204 5214 K C -0.232 176.460 176.600 0.154 0.000 1.221 5214 K CA -0.385 55.989 56.287 0.145 0.000 1.048 5214 K CB 0.429 32.970 32.500 0.068 0.000 1.011 5214 K HN -0.146 nan 8.250 nan 0.000 0.597 5215 D N 3.412 123.929 120.400 0.195 0.000 2.428 5215 D HA 0.164 4.805 4.640 0.002 0.000 0.221 5215 D C -1.364 175.106 176.300 0.284 0.000 1.123 5215 D CA -2.520 51.617 54.000 0.229 0.000 0.869 5215 D CB 1.513 42.454 40.800 0.235 0.000 1.032 5215 D HN -0.087 nan 8.370 nan 0.000 0.506 5216 P HA -0.164 nan 4.420 nan 0.000 0.219 5216 P C 0.801 178.016 177.300 -0.142 0.000 1.144 5216 P CA 0.873 63.903 63.100 -0.117 0.000 0.806 5216 P CB -0.003 31.456 31.700 -0.402 0.000 0.771 5217 F N -2.541 117.490 119.950 0.135 0.000 2.765 5217 F HA 0.167 4.695 4.527 0.002 0.000 0.302 5217 F C 1.666 177.634 175.800 0.280 0.000 1.111 5217 F CA -0.807 57.246 58.000 0.087 0.000 1.359 5217 F CB -0.921 37.996 39.000 -0.139 0.000 1.097 5217 F HN -0.101 nan 8.300 nan 0.000 0.577 5221 L N 0.426 121.490 121.223 -0.266 0.000 2.453 5221 L HA 0.304 4.646 4.340 0.002 0.000 0.272 5221 L C -0.245 176.612 176.870 -0.021 0.000 1.182 5221 L CA -0.317 54.481 54.840 -0.071 0.000 0.858 5221 L CB 0.018 42.071 42.059 -0.010 0.000 1.120 5221 L HN 0.499 nan 8.230 nan 0.000 0.474 5222 Y N 4.448 124.755 120.300 0.012 0.000 2.724 5222 Y HA 0.287 4.838 4.550 0.002 0.000 0.332 5222 Y C 0.724 176.650 175.900 0.044 0.000 1.276 5222 Y CA -0.079 58.062 58.100 0.069 0.000 1.597 5222 Y CB -0.049 38.435 38.460 0.041 0.000 1.584 5222 Y HN 0.601 nan 8.280 nan 0.000 0.478 5223 Q N -0.276 119.603 119.800 0.132 0.000 2.782 5223 Q HA 0.413 4.754 4.340 0.002 0.000 0.308 5223 Q C -1.487 174.538 176.000 0.041 0.000 0.883 5223 Q CA -1.280 54.573 55.803 0.084 0.000 0.755 5223 Q CB 1.333 30.112 28.738 0.068 0.000 1.454 5223 Q HN 0.077 nan 8.270 nan 0.000 0.452 5224 K N 0.781 121.196 120.400 0.025 0.000 2.120 5224 K HA 0.352 4.673 4.320 0.002 0.000 0.245 5224 K C -0.338 176.257 176.600 -0.009 0.000 1.024 5224 K CA -0.303 55.985 56.287 0.001 0.000 0.906 5224 K CB 0.393 32.893 32.500 0.000 0.000 1.051 5224 K HN 0.474 nan 8.250 nan 0.000 0.491 5225 R N 1.574 122.054 120.500 -0.033 0.000 2.370 5225 R HA -0.002 4.339 4.340 0.002 0.000 0.309 5225 R C -0.415 175.844 176.300 -0.068 0.000 1.059 5225 R CA 0.073 56.134 56.100 -0.064 0.000 0.981 5225 R CB 0.300 30.542 30.300 -0.096 0.000 0.972 5225 R HN 0.567 nan 8.270 nan 0.000 0.437 5226 D N 3.568 123.932 120.400 -0.060 0.000 2.343 5226 D HA -0.003 4.638 4.640 0.002 0.000 0.255 5226 D C 0.001 176.249 176.300 -0.087 0.000 1.187 5226 D CA 0.199 54.184 54.000 -0.024 0.000 0.875 5226 D CB 0.789 41.617 40.800 0.047 0.000 1.136 5226 D HN 0.526 nan 8.370 nan 0.000 0.469 5227 R N 2.003 122.477 120.500 -0.043 0.000 2.472 5227 R HA 0.081 4.422 4.340 0.002 0.000 0.279 5227 R C 1.190 177.521 176.300 0.052 0.000 0.953 5227 R CA -0.216 55.856 56.100 -0.048 0.000 1.088 5227 R CB 0.690 30.962 30.300 -0.047 0.000 1.197 5227 R HN 0.554 nan 8.270 nan 0.000 0.536 5228 T N -1.638 112.965 114.554 0.082 0.000 3.092 5228 T HA -0.089 4.262 4.350 0.002 0.000 0.374 5228 T C 1.327 176.119 174.700 0.152 0.000 1.190 5228 T CA 0.087 62.248 62.100 0.101 0.000 1.021 5228 T CB 0.611 69.530 68.868 0.085 0.000 1.556 5228 T HN 0.015 nan 8.240 nan 0.000 0.540 5229 Q N -0.396 119.480 119.800 0.127 0.000 2.245 5229 Q HA 0.018 4.359 4.340 0.002 0.000 0.201 5229 Q C 2.530 178.622 176.000 0.153 0.000 0.955 5229 Q CA 1.203 57.087 55.803 0.134 0.000 0.870 5229 Q CB -0.402 28.394 28.738 0.096 0.000 0.945 5229 Q HN 0.708 nan 8.270 nan 0.000 0.461 5230 Q N -0.947 118.939 119.800 0.143 0.000 2.156 5230 Q HA -0.268 4.073 4.340 0.002 0.000 0.211 5230 Q C 1.568 177.683 176.000 0.192 0.000 0.995 5230 Q CA 1.905 57.792 55.803 0.140 0.000 0.877 5230 Q CB -0.341 28.473 28.738 0.126 0.000 0.920 5230 Q HN 0.499 nan 8.270 nan 0.000 0.416 5231 Y N 1.736 122.095 120.300 0.098 0.000 2.092 5231 Y HA -0.212 4.339 4.550 0.002 0.000 0.282 5231 Y C 1.607 177.612 175.900 0.175 0.000 1.126 5231 Y CA 2.008 60.185 58.100 0.128 0.000 1.111 5231 Y CB -0.481 38.066 38.460 0.145 0.000 0.987 5231 Y HN 0.089 nan 8.280 nan 0.000 0.489 5232 D N 0.172 120.678 120.400 0.177 0.000 2.149 5232 D HA -0.214 4.427 4.640 0.002 0.000 0.194 5232 D C 1.666 178.022 176.300 0.095 0.000 1.001 5232 D CA 1.968 56.060 54.000 0.155 0.000 0.849 5232 D CB -0.255 40.674 40.800 0.214 0.000 0.939 5232 D HN 0.411 nan 8.370 nan 0.000 0.449 5233 D N -0.552 119.902 120.400 0.090 0.000 2.144 5233 D HA -0.086 4.555 4.640 0.002 0.000 0.200 5233 D C 1.959 178.280 176.300 0.036 0.000 0.978 5233 D CA 0.194 54.237 54.000 0.073 0.000 0.833 5233 D CB -0.247 40.597 40.800 0.074 0.000 0.961 5233 D HN 0.088 nan 8.370 nan 0.000 0.470 5234 L N 1.404 122.633 121.223 0.009 0.000 2.012 5234 L HA -0.145 4.196 4.340 0.002 0.000 0.210 5234 L C 2.031 178.886 176.870 -0.024 0.000 1.073 5234 L CA 1.418 56.253 54.840 -0.008 0.000 0.748 5234 L CB -0.846 41.208 42.059 -0.009 0.000 0.891 5234 L HN -0.004 nan 8.230 nan 0.000 0.431 5235 I N -0.739 119.759 120.570 -0.119 0.000 2.142 5235 I HA -0.275 3.896 4.170 0.002 0.000 0.240 5235 I C 2.285 178.374 176.117 -0.045 0.000 1.078 5235 I CA 1.385 62.622 61.300 -0.105 0.000 1.343 5235 I CB -1.601 36.196 38.000 -0.338 0.000 1.046 5235 I HN 0.255 nan 8.210 nan 0.000 0.405 5236 D N 1.015 121.414 120.400 -0.002 0.000 2.127 5236 D HA -0.266 4.375 4.640 0.002 0.000 0.190 5236 D C 2.088 178.361 176.300 -0.045 0.000 1.000 5236 D CA 1.929 55.942 54.000 0.022 0.000 0.839 5236 D CB -0.258 40.624 40.800 0.137 0.000 0.955 5236 D HN 0.506 nan 8.370 nan 0.000 0.446 5237 E N -0.242 119.959 120.200 0.002 0.000 2.049 5237 E HA -0.203 4.148 4.350 0.002 0.000 0.198 5237 E C 1.151 177.733 176.600 -0.031 0.000 1.007 5237 E CA 0.358 56.757 56.400 -0.003 0.000 0.809 5237 E CB -0.254 29.459 29.700 0.022 0.000 0.749 5237 E HN 0.143 nan 8.360 nan 0.000 0.450 5241 A N 3.130 125.847 122.820 -0.171 0.000 1.923 5241 A HA -0.267 4.054 4.320 0.002 0.000 0.222 5241 A C 1.980 179.485 177.584 -0.131 0.000 1.258 5241 A CA 2.437 54.411 52.037 -0.105 0.000 0.670 5241 A CB -0.930 18.049 19.000 -0.035 0.000 0.834 5241 A HN 0.383 nan 8.150 nan 0.000 0.470 5242 I N -0.147 120.262 120.570 -0.268 0.000 2.040 5242 I HA -0.253 3.918 4.170 0.002 0.000 0.224 5242 I C 2.874 178.931 176.117 -0.101 0.000 1.038 5242 I CA 2.348 63.530 61.300 -0.197 0.000 1.330 5242 I CB -2.115 35.584 38.000 -0.502 0.000 1.076 5242 I HN 0.590 nan 8.210 nan 0.000 0.388 5243 T N -0.171 114.259 114.554 -0.205 0.000 2.701 5243 T HA -0.322 4.029 4.350 0.002 0.000 0.265 5243 T C 1.496 176.182 174.700 -0.024 0.000 1.032 5243 T CA 2.124 64.172 62.100 -0.088 0.000 1.158 5243 T CB -0.941 67.868 68.868 -0.100 0.000 0.854 5243 T HN 0.222 nan 8.240 nan 0.000 0.463 5244 D N 1.303 121.669 120.400 -0.057 0.000 2.127 5244 D HA -0.139 4.502 4.640 0.002 0.000 0.190 5244 D C 2.287 178.549 176.300 -0.064 0.000 1.000 5244 D CA 1.933 55.908 54.000 -0.041 0.000 0.839 5244 D CB -0.388 40.381 40.800 -0.051 0.000 0.955 5244 D HN 0.645 nan 8.370 nan 0.000 0.446 5245 R N -1.090 119.337 120.500 -0.123 0.000 2.093 5245 R HA -0.065 4.276 4.340 0.002 0.000 0.224 5245 R C 1.911 178.010 176.300 -0.335 0.000 1.101 5245 R CA 0.973 56.910 56.100 -0.271 0.000 0.979 5245 R CB -0.209 29.826 30.300 -0.442 0.000 0.877 5245 R HN 0.264 nan 8.270 nan 0.000 0.441 5246 Y N -0.738 119.557 120.300 -0.008 0.000 2.503 5246 Y HA 0.411 4.962 4.550 0.002 0.000 0.277 5246 Y C 0.812 176.735 175.900 0.037 0.000 1.102 5246 Y CA 0.421 58.535 58.100 0.023 0.000 1.261 5246 Y CB 1.305 39.773 38.460 0.014 0.000 1.096 5246 Y HN 0.333 nan 8.280 nan 0.000 0.546 5247 G N -0.248 108.642 108.800 0.150 0.000 2.329 5247 G HA2 0.049 4.010 3.960 0.002 0.000 0.308 5247 G HA3 0.049 4.010 3.960 0.002 0.000 0.308 5247 G C -0.713 174.246 174.900 0.098 0.000 1.587 5247 G CA -1.047 44.126 45.100 0.122 0.000 0.978 5247 G HN -0.042 nan 8.290 nan 0.000 0.685 5248 R N -0.077 120.493 120.500 0.115 0.000 2.310 5248 R HA 0.138 4.479 4.340 0.002 0.000 0.202 5248 R C 1.746 178.122 176.300 0.127 0.000 0.933 5248 R CA 1.124 57.311 56.100 0.144 0.000 1.054 5248 R CB 0.145 30.538 30.300 0.154 0.000 0.985 5248 R HN 0.529 nan 8.270 nan 0.000 0.489 5249 N N -2.324 116.442 118.700 0.110 0.000 2.187 5249 N HA 0.010 4.751 4.740 0.002 0.000 0.212 5249 N C -0.315 175.232 175.510 0.063 0.000 1.152 5249 N CA -0.175 52.928 53.050 0.089 0.000 0.872 5249 N CB 0.303 38.858 38.487 0.114 0.000 1.025 5249 N HN -0.238 nan 8.380 nan 0.000 0.514 5250 T N 1.866 116.451 114.554 0.050 0.000 2.870 5250 T HA 0.134 4.485 4.350 0.002 0.000 0.300 5250 T C -0.315 174.370 174.700 -0.025 0.000 0.989 5250 T CA -0.321 61.783 62.100 0.007 0.000 1.139 5250 T CB 0.152 69.014 68.868 -0.009 0.000 0.920 5250 T HN 0.158 nan 8.240 nan 0.000 0.537 5251 L N 6.939 128.149 121.223 -0.022 0.000 2.360 5251 L HA 0.514 4.856 4.340 0.002 0.000 0.276 5251 L C -0.725 176.101 176.870 -0.072 0.000 1.121 5251 L CA -0.068 54.776 54.840 0.008 0.000 0.845 5251 L CB -0.086 42.027 42.059 0.090 0.000 1.143 5251 L HN 0.559 nan 8.230 nan 0.000 0.452 5252 I N 5.456 125.980 120.570 -0.076 0.000 2.439 5252 I HA 0.316 4.488 4.170 0.002 0.000 0.283 5252 I C -0.339 175.672 176.117 -0.176 0.000 1.023 5252 I CA -0.360 60.835 61.300 -0.175 0.000 1.100 5252 I CB 1.496 39.355 38.000 -0.235 0.000 1.238 5252 I HN 0.535 nan 8.210 nan 0.000 0.445 5253 Q N 6.622 126.241 119.800 -0.303 0.000 2.431 5253 Q HA 0.382 4.723 4.340 0.002 0.000 0.249 5253 Q C -0.923 174.898 176.000 -0.297 0.000 1.025 5253 Q CA -0.797 54.713 55.803 -0.489 0.000 0.835 5253 Q CB 0.936 29.302 28.738 -0.619 0.000 1.207 5253 Q HN 0.428 nan 8.270 nan 0.000 0.490 5254 F N 1.931 121.740 119.950 -0.234 0.000 2.586 5254 F HA 0.059 4.587 4.527 0.002 0.000 0.344 5254 F C 1.161 176.962 175.800 0.002 0.000 1.188 5254 F CA 1.017 59.009 58.000 -0.013 0.000 1.359 5254 F CB 0.556 39.535 39.000 -0.035 0.000 1.129 5254 F HN 0.435 nan 8.300 nan 0.000 0.609 5255 E N -0.166 120.230 120.200 0.326 0.000 2.445 5255 E HA 0.114 4.466 4.350 0.002 0.000 0.279 5255 E C -1.403 175.272 176.600 0.126 0.000 1.018 5255 E CA -0.767 55.708 56.400 0.125 0.000 0.816 5255 E CB 1.444 31.108 29.700 -0.060 0.000 1.356 5255 E HN 0.371 nan 8.360 nan 0.000 0.462 5256 D N 1.386 121.803 120.400 0.028 0.000 5.309 5256 D HA -0.212 4.429 4.640 0.002 0.000 0.182 5256 D C -0.214 176.038 176.300 -0.081 0.000 1.247 5256 D CA 1.175 55.164 54.000 -0.018 0.000 0.736 5256 D CB -0.978 39.775 40.800 -0.078 0.000 1.212 5256 D HN 0.191 nan 8.370 nan 0.000 0.637 5257 F N -0.319 119.673 119.950 0.070 0.000 2.695 5257 F HA 0.578 5.106 4.527 0.002 0.000 0.392 5257 F C 1.535 177.398 175.800 0.105 0.000 1.209 5257 F CA -0.605 57.473 58.000 0.130 0.000 1.138 5257 F CB 0.923 40.065 39.000 0.236 0.000 1.557 5257 F HN 0.027 nan 8.300 nan 0.000 0.496 5258 G N 1.031 110.093 108.800 0.436 0.000 2.415 5258 G HA2 0.198 4.159 3.960 0.002 0.000 0.317 5258 G HA3 0.198 4.159 3.960 0.002 0.000 0.317 5258 G C 0.123 175.170 174.900 0.244 0.000 1.152 5258 G CA -0.404 44.848 45.100 0.254 0.000 0.956 5258 G HN 0.639 nan 8.290 nan 0.000 0.458 5259 N N 1.383 120.207 118.700 0.208 0.000 2.144 5259 N HA -0.414 4.327 4.740 0.002 0.000 0.165 5259 N C 1.737 177.464 175.510 0.361 0.000 0.756 5259 N CA 2.465 55.674 53.050 0.266 0.000 0.879 5259 N CB -0.498 38.123 38.487 0.224 0.000 0.975 5259 N HN 0.720 nan 8.380 nan 0.000 1.054 5260 H N 2.466 121.621 119.070 0.141 0.000 2.287 5260 H HA -0.095 4.462 4.556 0.002 0.000 0.292 5260 H C 1.788 177.138 175.328 0.038 0.000 1.068 5260 H CA 2.373 58.470 56.048 0.081 0.000 1.192 5260 H CB -0.857 28.931 29.762 0.043 0.000 1.360 5260 H HN 0.387 nan 8.280 nan 0.000 0.516 5261 N N 0.954 119.643 118.700 -0.019 0.000 2.043 5261 N HA -0.182 4.559 4.740 0.002 0.000 0.193 5261 N C 2.147 177.580 175.510 -0.128 0.000 1.037 5261 N CA 1.366 54.230 53.050 -0.309 0.000 0.851 5261 N CB -0.580 37.892 38.487 -0.026 0.000 1.027 5261 N HN 0.476 nan 8.380 nan 0.000 0.422 5262 A N 1.018 123.897 122.820 0.099 0.000 2.009 5262 A HA -0.185 4.136 4.320 0.002 0.000 0.222 5262 A C 1.969 179.447 177.584 -0.177 0.000 1.175 5262 A CA 1.419 53.452 52.037 -0.006 0.000 0.651 5262 A CB -0.886 18.154 19.000 0.067 0.000 0.815 5262 A HN 0.261 nan 8.150 nan 0.000 0.459 5263 F N -0.295 119.584 119.950 -0.117 0.000 2.147 5263 F HA -0.049 4.479 4.527 0.002 0.000 0.291 5263 F C 2.627 178.357 175.800 -0.117 0.000 1.093 5263 F CA 1.605 59.495 58.000 -0.184 0.000 1.263 5263 F CB -0.249 38.539 39.000 -0.353 0.000 1.036 5263 F HN 0.305 nan 8.300 nan 0.000 0.481 5264 R N -0.112 120.440 120.500 0.087 0.000 2.070 5264 R HA -0.188 4.153 4.340 0.002 0.000 0.233 5264 R C 2.156 178.354 176.300 -0.170 0.000 1.137 5264 R CA 2.042 58.125 56.100 -0.029 0.000 0.945 5264 R CB -1.673 28.565 30.300 -0.103 0.000 0.845 5264 R HN 0.207 nan 8.270 nan 0.000 0.430 5265 F N 1.154 120.968 119.950 -0.226 0.000 2.115 5265 F HA -0.267 4.261 4.527 0.002 0.000 0.300 5265 F C 2.363 177.879 175.800 -0.473 0.000 1.092 5265 F CA 0.804 58.554 58.000 -0.417 0.000 1.245 5265 F CB -0.316 38.331 39.000 -0.590 0.000 0.995 5265 F HN 0.114 nan 8.300 nan 0.000 0.481 5266 L N 0.715 121.801 121.223 -0.229 0.000 1.994 5266 L HA -0.196 4.146 4.340 0.002 0.000 0.208 5266 L C 2.379 179.218 176.870 -0.052 0.000 1.071 5266 L CA 1.744 56.483 54.840 -0.168 0.000 0.745 5266 L CB -1.040 40.932 42.059 -0.145 0.000 0.892 5266 L HN -0.007 nan 8.230 nan 0.000 0.431 5267 R N -0.168 120.321 120.500 -0.019 0.000 2.119 5267 R HA -0.251 4.090 4.340 0.002 0.000 0.246 5267 R C 2.325 178.594 176.300 -0.051 0.000 1.146 5267 R CA 2.118 58.229 56.100 0.019 0.000 0.962 5267 R CB -0.331 30.010 30.300 0.068 0.000 0.863 5267 R HN 0.457 nan 8.270 nan 0.000 0.442 5268 K N -0.028 120.257 120.400 -0.191 0.000 1.964 5268 K HA -0.178 4.143 4.320 0.002 0.000 0.218 5268 K C 1.995 178.464 176.600 -0.219 0.000 1.043 5268 K CA 1.955 58.050 56.287 -0.321 0.000 0.966 5268 K CB -0.383 31.700 32.500 -0.695 0.000 0.739 5268 K HN 0.167 nan 8.250 nan 0.000 0.443 5269 Y N 0.827 121.209 120.300 0.137 0.000 2.571 5269 Y HA -0.062 4.489 4.550 0.002 0.000 0.294 5269 Y C 2.080 178.058 175.900 0.129 0.000 1.141 5269 Y CA 0.792 59.004 58.100 0.187 0.000 1.308 5269 Y CB -0.415 38.317 38.460 0.452 0.000 1.002 5269 Y HN 0.244 nan 8.280 nan 0.000 0.551 5270 R N 0.826 121.448 120.500 0.204 0.000 2.170 5270 R HA -0.181 4.160 4.340 0.002 0.000 0.242 5270 R C 1.235 177.689 176.300 0.256 0.000 1.145 5270 R CA 1.886 58.106 56.100 0.201 0.000 0.984 5270 R CB -0.191 30.207 30.300 0.163 0.000 0.869 5270 R HN 0.153 nan 8.270 nan 0.000 0.455 5271 E N 0.225 120.562 120.200 0.230 0.000 2.431 5271 E HA 0.070 4.421 4.350 0.002 0.000 0.200 5271 E C 1.126 177.918 176.600 0.320 0.000 0.995 5271 E CA 0.553 57.142 56.400 0.316 0.000 0.915 5271 E CB 0.485 30.269 29.700 0.140 0.000 0.930 5271 E HN 0.410 nan 8.360 nan 0.000 0.496 5272 K N -1.029 119.416 120.400 0.075 0.000 2.242 5272 K HA 0.105 4.426 4.320 0.002 0.000 0.200 5272 K C 0.260 176.484 176.600 -0.628 0.000 1.050 5272 K CA 0.565 56.711 56.287 -0.236 0.000 0.981 5272 K CB 0.580 32.860 32.500 -0.368 0.000 0.795 5272 K HN -0.018 nan 8.250 nan 0.000 0.477 5273 Y N -2.431 117.789 120.300 -0.133 0.000 3.048 5273 Y HA 0.233 4.784 4.550 0.002 0.000 0.305 5273 Y C 0.003 175.631 175.900 -0.452 0.000 1.538 5273 Y CA -1.289 56.654 58.100 -0.262 0.000 1.082 5273 Y CB 0.868 39.271 38.460 -0.095 0.000 1.388 5273 Y HN -0.261 nan 8.280 nan 0.000 0.557 5274 C N 1.636 120.939 119.300 0.004 0.000 2.352 5274 C HA 0.383 4.844 4.460 0.002 0.000 0.321 5274 C C 0.434 175.495 174.990 0.118 0.000 1.407 5274 C CA -0.102 58.916 59.018 0.000 0.000 1.783 5274 C CB -2.155 25.597 27.740 0.020 0.000 2.698 5274 C HN 0.630 nan 8.230 nan 0.000 0.555 5275 T N 0.521 115.183 114.554 0.179 0.000 2.918 5275 T HA 0.689 5.040 4.350 0.002 0.000 0.283 5275 T C -0.792 174.125 174.700 0.362 0.000 1.001 5275 T CA -0.208 62.042 62.100 0.249 0.000 1.041 5275 T CB 0.927 70.000 68.868 0.341 0.000 1.028 5275 T HN 0.689 nan 8.240 nan 0.000 0.511 5276 F N 2.752 122.862 119.950 0.267 0.000 2.635 5276 F HA 0.518 5.046 4.527 0.002 0.000 0.314 5276 F C -1.548 174.405 175.800 0.255 0.000 1.119 5276 F CA -1.416 56.757 58.000 0.288 0.000 1.000 5276 F CB 0.971 40.212 39.000 0.402 0.000 1.278 5276 F HN 0.502 nan 8.300 nan 0.000 0.446 5277 N N 3.803 122.745 118.700 0.403 0.000 2.437 5277 N HA 0.146 4.887 4.740 0.002 0.000 0.259 5277 N C 0.209 175.893 175.510 0.290 0.000 0.983 5277 N CA 0.074 53.233 53.050 0.182 0.000 0.937 5277 N CB 1.501 39.990 38.487 0.003 0.000 1.122 5277 N HN 1.017 nan 8.380 nan 0.000 0.499 5278 D N 1.997 122.557 120.400 0.266 0.000 2.088 5278 D HA -0.183 4.458 4.640 0.002 0.000 0.191 5278 D C 0.087 176.466 176.300 0.132 0.000 0.992 5278 D CA 1.509 55.708 54.000 0.332 0.000 0.831 5278 D CB 0.133 41.023 40.800 0.149 0.000 0.973 5278 D HN 0.605 nan 8.370 nan 0.000 0.447 5279 D N -0.455 119.978 120.400 0.055 0.000 2.488 5279 D HA -0.022 4.619 4.640 0.002 0.000 0.260 5279 D C 1.103 177.360 176.300 -0.072 0.000 1.273 5279 D CA 0.378 54.382 54.000 0.007 0.000 0.912 5279 D CB 0.049 40.852 40.800 0.005 0.000 0.982 5279 D HN 0.458 nan 8.370 nan 0.000 0.492 5280 I N -1.301 119.206 120.570 -0.106 0.000 3.194 5280 I HA -0.112 4.060 4.170 0.002 0.000 0.281 5280 I C 1.720 177.705 176.117 -0.220 0.000 0.940 5280 I CA -0.375 60.803 61.300 -0.205 0.000 2.252 5280 I CB 0.012 37.800 38.000 -0.355 0.000 1.665 5280 I HN -0.250 nan 8.210 nan 0.000 0.450 5281 Q N 1.605 121.191 119.800 -0.356 0.000 2.030 5281 Q HA -0.124 4.217 4.340 0.002 0.000 0.204 5281 Q C 2.050 177.682 176.000 -0.613 0.000 0.986 5281 Q CA 2.442 57.784 55.803 -0.769 0.000 0.843 5281 Q CB -0.565 27.192 28.738 -1.636 0.000 0.904 5281 Q HN 0.671 nan 8.270 nan 0.000 0.420 5282 G N -0.035 108.586 108.800 -0.298 0.000 2.553 5282 G HA2 -0.338 3.623 3.960 0.002 0.000 0.218 5282 G HA3 -0.338 3.623 3.960 0.002 0.000 0.218 5282 G C 1.364 176.320 174.900 0.093 0.000 1.195 5282 G CA 1.560 46.710 45.100 0.084 0.000 0.779 5282 G HN 0.315 nan 8.290 nan 0.000 0.577 5283 T N 1.643 116.231 114.554 0.057 0.000 2.474 5283 T HA -0.087 4.265 4.350 0.002 0.000 0.254 5283 T C 2.730 177.469 174.700 0.065 0.000 1.191 5283 T CA 2.671 64.809 62.100 0.064 0.000 1.231 5283 T CB -0.972 67.909 68.868 0.021 0.000 0.865 5283 T HN 0.549 nan 8.240 nan 0.000 0.398 5284 A N 1.841 124.672 122.820 0.020 0.000 1.920 5284 A HA -0.280 4.041 4.320 0.002 0.000 0.229 5284 A C 2.597 180.239 177.584 0.098 0.000 1.516 5284 A CA 3.542 55.608 52.037 0.050 0.000 0.714 5284 A CB -1.654 17.348 19.000 0.004 0.000 0.845 5284 A HN 0.768 nan 8.150 nan 0.000 0.493 5285 A N -0.951 121.920 122.820 0.084 0.000 1.870 5285 A HA -0.193 4.128 4.320 0.002 0.000 0.219 5285 A C 2.351 180.041 177.584 0.176 0.000 1.224 5285 A CA 3.657 55.781 52.037 0.144 0.000 0.650 5285 A CB -1.632 17.490 19.000 0.203 0.000 0.836 5285 A HN 1.199 nan 8.150 nan 0.000 0.454 5286 V N -1.044 118.989 119.914 0.199 0.000 2.255 5286 V HA -0.197 3.924 4.120 0.002 0.000 0.247 5286 V C 2.840 179.154 176.094 0.367 0.000 1.051 5286 V CA 2.155 64.617 62.300 0.271 0.000 1.018 5286 V CB -2.064 29.873 31.823 0.190 0.000 0.641 5286 V HN 0.704 nan 8.190 nan 0.000 0.445 5287 A N 0.979 123.979 122.820 0.300 0.000 1.852 5287 A HA -0.295 4.026 4.320 0.002 0.000 0.217 5287 A C 2.295 180.083 177.584 0.340 0.000 1.215 5287 A CA 2.663 54.926 52.037 0.376 0.000 0.641 5287 A CB -1.018 18.157 19.000 0.291 0.000 0.838 5287 A HN 0.544 nan 8.150 nan 0.000 0.450 5288 L N -0.502 120.850 121.223 0.215 0.000 2.081 5288 L HA -0.195 4.146 4.340 0.002 0.000 0.212 5288 L C 2.711 179.646 176.870 0.109 0.000 1.080 5288 L CA 2.264 57.188 54.840 0.139 0.000 0.754 5288 L CB -0.429 41.700 42.059 0.116 0.000 0.893 5288 L HN 0.424 nan 8.230 nan 0.000 0.433 5289 A N -0.695 122.199 122.820 0.125 0.000 2.076 5289 A HA -0.098 4.223 4.320 0.002 0.000 0.220 5289 A C 2.215 179.749 177.584 -0.083 0.000 1.160 5289 A CA 1.535 53.593 52.037 0.036 0.000 0.653 5289 A CB -1.395 17.654 19.000 0.081 0.000 0.801 5289 A HN 0.575 nan 8.150 nan 0.000 0.455 5290 G N 0.425 109.249 108.800 0.040 0.000 2.556 5290 G HA2 -0.125 3.837 3.960 0.002 0.000 0.215 5290 G HA3 -0.125 3.837 3.960 0.002 0.000 0.215 5290 G C 1.454 176.416 174.900 0.104 0.000 1.258 5290 G CA 0.950 46.069 45.100 0.031 0.000 0.811 5290 G HN 0.487 nan 8.290 nan 0.000 0.557 5291 L N 0.398 121.678 121.223 0.095 0.000 2.137 5291 L HA -0.125 4.216 4.340 0.002 0.000 0.213 5291 L C 2.881 179.725 176.870 -0.043 0.000 1.085 5291 L CA 0.689 55.483 54.840 -0.076 0.000 0.760 5291 L CB -0.747 41.212 42.059 -0.167 0.000 0.893 5291 L HN 0.146 nan 8.230 nan 0.000 0.434 5292 L N 0.058 121.271 121.223 -0.017 0.000 2.083 5292 L HA -0.176 4.165 4.340 0.002 0.000 0.209 5292 L C 2.978 179.829 176.870 -0.030 0.000 1.083 5292 L CA 1.201 56.034 54.840 -0.012 0.000 0.752 5292 L CB -0.807 41.249 42.059 -0.004 0.000 0.899 5292 L HN 0.320 nan 8.230 nan 0.000 0.433 5293 A N 0.025 122.806 122.820 -0.064 0.000 1.930 5293 A HA -0.082 4.239 4.320 0.002 0.000 0.217 5293 A C 2.539 180.097 177.584 -0.043 0.000 1.175 5293 A CA 1.526 53.514 52.037 -0.081 0.000 0.627 5293 A CB -0.508 18.390 19.000 -0.170 0.000 0.815 5293 A HN 0.388 nan 8.150 nan 0.000 0.443 5294 A N -0.645 122.162 122.820 -0.022 0.000 1.855 5294 A HA -0.187 4.134 4.320 0.002 0.000 0.215 5294 A C 2.168 179.741 177.584 -0.018 0.000 1.191 5294 A CA 2.053 54.086 52.037 -0.007 0.000 0.613 5294 A CB -0.671 18.329 19.000 -0.001 0.000 0.829 5294 A HN 0.544 nan 8.150 nan 0.000 0.442 5295 Q N 0.139 119.924 119.800 -0.026 0.000 2.112 5295 Q HA -0.207 4.134 4.340 0.002 0.000 0.206 5295 Q C 1.892 177.900 176.000 0.013 0.000 0.987 5295 Q CA 2.329 58.135 55.803 0.004 0.000 0.858 5295 Q CB -0.361 28.397 28.738 0.033 0.000 0.905 5295 Q HN 0.616 nan 8.270 nan 0.000 0.420 5296 K N -0.650 119.751 120.400 0.003 0.000 2.589 5296 K HA -0.089 4.232 4.320 0.002 0.000 0.195 5296 K C 1.201 177.802 176.600 0.002 0.000 1.040 5296 K CA 1.101 57.390 56.287 0.002 0.000 0.950 5296 K CB 0.081 32.576 32.500 -0.008 0.000 0.781 5296 K HN 0.340 nan 8.250 nan 0.000 0.486 5297 V N -3.189 116.726 119.914 0.001 0.000 3.497 5297 V HA 0.117 4.239 4.120 0.002 0.000 0.272 5297 V C 1.201 177.298 176.094 0.005 0.000 1.474 5297 V CA -0.184 62.117 62.300 0.001 0.000 1.025 5297 V CB 0.169 31.989 31.823 -0.005 0.000 0.820 5297 V HN 0.009 nan 8.190 nan 0.000 0.437 5298 I N 1.038 121.612 120.570 0.008 0.000 2.927 5298 I HA 0.266 4.437 4.170 0.002 0.000 0.268 5298 I C 1.189 177.322 176.117 0.027 0.000 1.153 5298 I CA 1.286 62.594 61.300 0.013 0.000 1.459 5298 I CB -0.446 37.555 38.000 0.002 0.000 1.149 5298 I HN 0.516 nan 8.210 nan 0.000 0.443 5299 S N 2.145 117.867 115.700 0.036 0.000 3.527 5299 S HA -0.184 4.287 4.470 0.002 0.000 0.409 5299 S C 0.445 175.079 174.600 0.056 0.000 0.900 5299 S CA 0.426 58.650 58.200 0.041 0.000 1.320 5299 S CB -1.422 61.793 63.200 0.024 0.000 0.915 5299 S HN 0.426 nan 8.310 nan 0.000 0.575 5300 K N 1.237 121.704 120.400 0.111 0.000 2.499 5300 K HA 0.269 4.590 4.320 0.002 0.000 0.215 5300 K C -2.818 173.804 176.600 0.036 0.000 1.041 5300 K CA -2.422 53.947 56.287 0.136 0.000 1.031 5300 K CB 0.711 33.364 32.500 0.256 0.000 1.479 5300 K HN 0.030 nan 8.250 nan 0.000 0.518 5301 P HA -0.203 nan 4.420 nan 0.000 0.140 5301 P C 1.099 178.216 177.300 -0.305 0.000 0.817 5301 P CA 0.411 63.437 63.100 -0.122 0.000 1.248 5301 P CB -0.606 31.052 31.700 -0.070 0.000 1.542 5302 I N -0.776 119.449 120.570 -0.576 0.000 4.891 5302 I HA -0.525 3.646 4.170 0.002 0.000 0.040 5302 I C 1.800 177.517 176.117 -0.667 0.000 0.635 5302 I CA 2.312 63.059 61.300 -0.921 0.000 0.273 5302 I CB -2.600 35.230 38.000 -0.284 0.000 0.352 5302 I HN 0.259 nan 8.210 nan 0.000 0.153 5303 S N 1.635 117.177 115.700 -0.264 0.000 2.729 5303 S HA -0.354 4.117 4.470 0.002 0.000 0.344 5303 S C 1.372 175.928 174.600 -0.074 0.000 1.377 5303 S CA 2.962 61.092 58.200 -0.116 0.000 1.091 5303 S CB -1.165 61.987 63.200 -0.079 0.000 1.097 5303 S HN 0.816 nan 8.310 nan 0.000 0.450 5304 E N 0.603 120.738 120.200 -0.107 0.000 2.285 5304 E HA 0.037 4.388 4.350 0.002 0.000 0.194 5304 E C 0.431 177.081 176.600 0.085 0.000 0.997 5304 E CA 0.361 56.755 56.400 -0.010 0.000 0.845 5304 E CB -0.406 29.291 29.700 -0.005 0.000 0.782 5304 E HN 0.710 nan 8.360 nan 0.000 0.491 5305 H N 1.493 120.564 119.070 0.000 0.000 3.192 5305 H HA 0.018 4.576 4.556 0.002 0.000 0.295 5305 H C -0.106 175.226 175.328 0.006 0.000 0.943 5305 H CA 0.149 56.192 56.048 -0.008 0.000 1.416 5305 H CB 0.351 30.109 29.762 -0.007 0.000 1.434 5305 H HN -0.058 nan 8.280 nan 0.000 0.565 5306 K N 4.923 125.376 120.400 0.088 0.000 2.579 5306 K HA 0.273 4.594 4.320 0.002 0.000 0.225 5306 K C -1.154 175.432 176.600 -0.024 0.000 0.992 5306 K CA -0.452 55.867 56.287 0.053 0.000 1.018 5306 K CB 0.416 32.920 32.500 0.006 0.000 1.249 5306 K HN 0.429 nan 8.250 nan 0.000 0.489 5307 I N 4.199 124.754 120.570 -0.026 0.000 2.396 5307 I HA 0.317 4.488 4.170 0.002 0.000 0.292 5307 I C -0.628 175.386 176.117 -0.172 0.000 0.999 5307 I CA -0.749 60.449 61.300 -0.170 0.000 1.310 5307 I CB 1.278 39.116 38.000 -0.269 0.000 1.404 5307 I HN 0.459 nan 8.210 nan 0.000 0.496 5308 L N 6.615 127.687 121.223 -0.251 0.000 2.388 5308 L HA 0.668 5.009 4.340 0.002 0.000 0.264 5308 L C -1.777 175.010 176.870 -0.138 0.000 0.998 5308 L CA -0.153 54.612 54.840 -0.125 0.000 0.817 5308 L CB 1.585 43.608 42.059 -0.062 0.000 1.338 5308 L HN 0.249 nan 8.230 nan 0.000 0.414 5309 F N 3.792 123.882 119.950 0.233 0.000 2.480 5309 F HA 0.461 4.990 4.527 0.002 0.000 0.329 5309 F C 0.564 176.629 175.800 0.442 0.000 1.091 5309 F CA -0.635 57.521 58.000 0.260 0.000 0.972 5309 F CB 1.948 41.013 39.000 0.108 0.000 1.150 5309 F HN 0.516 nan 8.300 nan 0.000 0.467 5310 L N 1.730 123.339 121.223 0.643 0.000 2.341 5310 L HA 0.444 4.786 4.340 0.002 0.000 0.214 5310 L C 0.605 177.681 176.870 0.345 0.000 1.115 5310 L CA 0.915 56.054 54.840 0.499 0.000 0.820 5310 L CB -0.530 41.578 42.059 0.080 0.000 0.944 5310 L HN 0.540 nan 8.230 nan 0.000 0.452 5311 G N -1.636 107.312 108.800 0.247 0.000 2.571 5311 G HA2 0.571 4.532 3.960 0.002 0.000 0.304 5311 G HA3 0.571 4.532 3.960 0.002 0.000 0.304 5311 G C -0.748 174.173 174.900 0.035 0.000 1.314 5311 G CA -0.126 45.035 45.100 0.103 0.000 0.975 5311 G HN 0.185 nan 8.290 nan 0.000 0.485 5312 A N 0.990 123.817 122.820 0.012 0.000 2.827 5312 A HA 0.700 5.021 4.320 0.002 0.000 0.300 5312 A C 0.794 178.348 177.584 -0.051 0.000 1.237 5312 A CA 0.151 52.170 52.037 -0.029 0.000 0.964 5312 A CB -0.151 18.860 19.000 0.017 0.000 1.143 5312 A HN 1.207 nan 8.150 nan 0.000 0.554 5313 G N -1.012 107.750 108.800 -0.063 0.000 2.461 5313 G HA2 0.471 4.432 3.960 0.002 0.000 0.323 5313 G HA3 0.471 4.432 3.960 0.002 0.000 0.323 5313 G C 0.282 175.169 174.900 -0.021 0.000 1.229 5313 G CA 0.336 45.416 45.100 -0.032 0.000 0.941 5313 G HN 0.458 nan 8.290 nan 0.000 0.477 5314 E N 1.490 121.736 120.200 0.075 0.000 3.663 5314 E HA -0.478 3.873 4.350 0.002 0.000 0.457 5314 E C 2.398 179.034 176.600 0.060 0.000 1.577 5314 E CA 3.323 59.848 56.400 0.208 0.000 1.373 5314 E CB -1.016 28.762 29.700 0.131 0.000 1.259 5314 E HN 0.990 nan 8.360 nan 0.000 0.343 5315 A N 0.879 123.677 122.820 -0.035 0.000 1.944 5315 A HA -0.297 4.025 4.320 0.002 0.000 0.222 5315 A C 2.416 179.866 177.584 -0.222 0.000 1.237 5315 A CA 4.289 56.266 52.037 -0.101 0.000 0.668 5315 A CB -1.557 17.387 19.000 -0.092 0.000 0.830 5315 A HN 0.888 nan 8.150 nan 0.000 0.471 5316 A N -0.372 122.246 122.820 -0.336 0.000 1.849 5316 A HA -0.120 4.201 4.320 0.002 0.000 0.216 5316 A C 1.950 179.206 177.584 -0.547 0.000 1.225 5316 A CA 2.190 53.799 52.037 -0.712 0.000 0.653 5316 A CB -1.073 17.608 19.000 -0.531 0.000 0.844 5316 A HN 0.744 nan 8.150 nan 0.000 0.453 5317 L N 0.389 121.447 121.223 -0.276 0.000 2.263 5317 L HA -0.066 4.276 4.340 0.002 0.000 0.216 5317 L C 2.598 179.487 176.870 0.031 0.000 1.111 5317 L CA 1.686 56.465 54.840 -0.102 0.000 0.773 5317 L CB -1.579 40.476 42.059 -0.006 0.000 0.906 5317 L HN 0.434 nan 8.230 nan 0.000 0.439 5318 G N -0.063 108.744 108.800 0.012 0.000 2.404 5318 G HA2 -0.147 3.814 3.960 0.002 0.000 0.215 5318 G HA3 -0.147 3.814 3.960 0.002 0.000 0.215 5318 G C 1.632 176.530 174.900 -0.004 0.000 1.174 5318 G CA 0.889 45.996 45.100 0.012 0.000 0.780 5318 G HN 0.352 nan 8.290 nan 0.000 0.537 5319 I N 1.536 122.073 120.570 -0.056 0.000 2.141 5319 I HA -0.031 4.141 4.170 0.002 0.000 0.236 5319 I C 3.258 179.447 176.117 0.121 0.000 1.071 5319 I CA 1.071 62.390 61.300 0.032 0.000 1.345 5319 I CB -0.510 37.508 38.000 0.030 0.000 1.066 5319 I HN 0.225 nan 8.210 nan 0.000 0.406 5320 A N 0.975 123.845 122.820 0.083 0.000 1.887 5320 A HA -0.409 3.912 4.320 0.002 0.000 0.225 5320 A C 2.228 179.988 177.584 0.293 0.000 1.464 5320 A CA 2.867 55.004 52.037 0.166 0.000 0.717 5320 A CB -1.424 17.332 19.000 -0.407 0.000 0.848 5320 A HN 0.571 nan 8.150 nan 0.000 0.477 5321 N N -0.636 118.251 118.700 0.311 0.000 2.104 5321 N HA -0.156 4.585 4.740 0.002 0.000 0.190 5321 N C 1.623 177.263 175.510 0.217 0.000 1.024 5321 N CA 1.787 55.029 53.050 0.320 0.000 0.853 5321 N CB -0.345 38.310 38.487 0.280 0.000 1.008 5321 N HN 0.366 nan 8.380 nan 0.000 0.424 5322 L N 1.399 122.722 121.223 0.166 0.000 2.265 5322 L HA 0.029 4.370 4.340 0.002 0.000 0.215 5322 L C 1.962 178.918 176.870 0.143 0.000 1.117 5322 L CA 0.869 55.789 54.840 0.134 0.000 0.782 5322 L CB -0.506 41.612 42.059 0.099 0.000 0.914 5322 L HN 0.186 nan 8.230 nan 0.000 0.441 5323 I N -1.999 118.674 120.570 0.172 0.000 2.188 5323 I HA -0.166 4.006 4.170 0.002 0.000 0.237 5323 I C 1.312 177.528 176.117 0.164 0.000 1.073 5323 I CA 0.194 61.592 61.300 0.163 0.000 1.359 5323 I CB -0.105 38.006 38.000 0.185 0.000 1.083 5323 I HN -0.171 nan 8.210 nan 0.000 0.412 5329 E N 1.460 121.693 120.200 0.056 0.000 2.273 5329 E HA -0.223 4.129 4.350 0.002 0.000 0.198 5329 E C 0.977 177.603 176.600 0.043 0.000 1.002 5329 E CA 2.153 58.586 56.400 0.054 0.000 0.828 5329 E CB -0.104 29.635 29.700 0.064 0.000 0.747 5329 E HN 0.652 nan 8.360 nan 0.000 0.491 5330 N N -0.506 118.217 118.700 0.038 0.000 2.321 5330 N HA 0.191 4.932 4.740 0.002 0.000 0.242 5330 N C 0.373 175.892 175.510 0.015 0.000 1.141 5330 N CA 0.659 53.725 53.050 0.026 0.000 0.864 5330 N CB 1.075 39.577 38.487 0.024 0.000 1.100 5330 N HN 0.379 nan 8.380 nan 0.000 0.510 5331 G N 0.139 108.950 108.800 0.019 0.000 2.604 5331 G HA2 -0.254 3.707 3.960 0.002 0.000 0.205 5331 G HA3 -0.254 3.707 3.960 0.002 0.000 0.205 5331 G C 0.150 175.057 174.900 0.011 0.000 1.186 5331 G CA -0.373 44.734 45.100 0.012 0.000 0.753 5331 G HN 0.268 nan 8.290 nan 0.000 0.526 5332 L N 1.976 123.206 121.223 0.012 0.000 2.484 5332 L HA 0.368 4.709 4.340 0.002 0.000 0.297 5332 L C 1.542 178.421 176.870 0.015 0.000 1.292 5332 L CA 1.430 56.277 54.840 0.013 0.000 0.827 5332 L CB 0.346 42.418 42.059 0.021 0.000 1.077 5332 L HN 0.859 nan 8.230 nan 0.000 0.560 5333 S N -0.528 115.177 115.700 0.010 0.000 2.593 5333 S HA 0.271 4.743 4.470 0.002 0.000 0.297 5333 S C 0.718 175.322 174.600 0.006 0.000 1.112 5333 S CA -0.483 57.720 58.200 0.005 0.000 1.043 5333 S CB 1.495 64.691 63.200 -0.006 0.000 1.054 5333 S HN 0.698 nan 8.310 nan 0.000 0.516 5334 E N 0.635 120.837 120.200 0.003 0.000 2.049 5334 E HA -0.303 4.049 4.350 0.002 0.000 0.198 5334 E C 1.879 178.463 176.600 -0.027 0.000 1.007 5334 E CA 1.896 58.294 56.400 -0.002 0.000 0.809 5334 E CB -0.246 29.447 29.700 -0.011 0.000 0.749 5334 E HN 0.775 nan 8.360 nan 0.000 0.450 5335 Q N 0.933 120.709 119.800 -0.040 0.000 2.062 5335 Q HA -0.250 4.091 4.340 0.002 0.000 0.209 5335 Q C 1.679 177.647 176.000 -0.053 0.000 0.996 5335 Q CA 2.668 58.435 55.803 -0.061 0.000 0.859 5335 Q CB -0.179 28.525 28.738 -0.056 0.000 0.920 5335 Q HN 0.431 nan 8.270 nan 0.000 0.415 5336 E N -0.317 119.867 120.200 -0.027 0.000 2.150 5336 E HA -0.072 4.279 4.350 0.002 0.000 0.193 5336 E C 1.909 178.521 176.600 0.020 0.000 0.985 5336 E CA 0.875 57.268 56.400 -0.012 0.000 0.814 5336 E CB -0.332 29.366 29.700 -0.004 0.000 0.752 5336 E HN 0.464 nan 8.360 nan 0.000 0.466 5337 A N 2.458 125.296 122.820 0.030 0.000 1.858 5337 A HA -0.250 4.071 4.320 0.002 0.000 0.216 5337 A C 2.258 179.911 177.584 0.115 0.000 1.190 5337 A CA 1.674 53.755 52.037 0.074 0.000 0.617 5337 A CB -0.620 18.424 19.000 0.074 0.000 0.827 5337 A HN 0.325 nan 8.150 nan 0.000 0.443 5338 Q N -1.082 118.747 119.800 0.048 0.000 2.437 5338 Q HA -0.046 4.295 4.340 0.002 0.000 0.210 5338 Q C 1.303 177.426 176.000 0.204 0.000 0.972 5338 Q CA 1.015 56.832 55.803 0.023 0.000 0.903 5338 Q CB -0.210 28.308 28.738 -0.367 0.000 0.967 5338 Q HN 0.422 nan 8.270 nan 0.000 0.486 5339 K N 1.363 121.841 120.400 0.130 0.000 2.418 5339 K HA 0.064 4.385 4.320 0.002 0.000 0.195 5339 K C 0.968 177.768 176.600 0.333 0.000 1.035 5339 K CA 0.378 56.719 56.287 0.090 0.000 1.003 5339 K CB 0.346 32.776 32.500 -0.116 0.000 0.793 5339 K HN 0.148 nan 8.250 nan 0.000 0.494 5340 K N 0.382 120.955 120.400 0.289 0.000 2.417 5340 K HA 0.235 4.556 4.320 0.002 0.000 0.196 5340 K C -0.124 176.671 176.600 0.325 0.000 1.023 5340 K CA 0.119 56.580 56.287 0.290 0.000 1.122 5340 K CB 0.437 33.054 32.500 0.194 0.000 0.850 5340 K HN 0.002 nan 8.250 nan 0.000 0.521 5341 I N 0.275 121.069 120.570 0.372 0.000 2.534 5341 I HA 0.314 4.486 4.170 0.002 0.000 0.288 5341 I C -1.030 175.172 176.117 0.142 0.000 1.077 5341 I CA -0.975 60.491 61.300 0.277 0.000 1.051 5341 I CB 1.262 39.440 38.000 0.297 0.000 1.234 5341 I HN -0.068 nan 8.210 nan 0.000 0.425 5345 D N 3.470 123.818 120.400 -0.087 0.000 2.447 5345 D HA 0.124 4.765 4.640 0.002 0.000 0.265 5345 D C 1.082 177.233 176.300 -0.249 0.000 1.250 5345 D CA 0.024 53.974 54.000 -0.084 0.000 1.046 5345 D CB 0.824 41.603 40.800 -0.036 0.000 1.095 5345 D HN 0.572 nan 8.370 nan 0.000 0.555 5346 K N -0.919 119.364 120.400 -0.195 0.000 2.286 5346 K HA -0.201 4.120 4.320 0.002 0.000 0.203 5346 K C 1.624 178.040 176.600 -0.305 0.000 1.045 5346 K CA 1.470 57.603 56.287 -0.256 0.000 0.935 5346 K CB -0.742 31.542 32.500 -0.361 0.000 0.737 5346 K HN 0.475 nan 8.250 nan 0.000 0.460 5347 Y N 0.385 120.589 120.300 -0.159 0.000 2.482 5347 Y HA 0.216 4.767 4.550 0.002 0.000 0.270 5347 Y C 1.286 177.049 175.900 -0.227 0.000 1.152 5347 Y CA -0.036 57.982 58.100 -0.136 0.000 1.292 5347 Y CB 0.995 39.399 38.460 -0.093 0.000 1.070 5347 Y HN 0.405 nan 8.280 nan 0.000 0.528 5348 G N 0.499 109.044 108.800 -0.424 0.000 2.255 5348 G HA2 -0.143 3.818 3.960 0.002 0.000 0.216 5348 G HA3 -0.143 3.818 3.960 0.002 0.000 0.216 5348 G C -1.650 172.608 174.900 -1.069 0.000 1.307 5348 G CA -0.692 43.918 45.100 -0.817 0.000 1.162 5348 G HN 0.053 nan 8.290 nan 0.000 0.494 5349 L N 0.537 121.628 121.223 -0.219 0.000 2.350 5349 L HA 0.713 5.054 4.340 0.002 0.000 0.275 5349 L C 0.526 177.485 176.870 0.148 0.000 1.099 5349 L CA -0.907 54.060 54.840 0.212 0.000 0.808 5349 L CB 0.816 43.153 42.059 0.462 0.000 1.149 5349 L HN 0.511 nan 8.230 nan 0.000 0.442 5350 L N 6.326 127.666 121.223 0.195 0.000 2.437 5350 L HA 0.233 4.574 4.340 0.002 0.000 0.243 5350 L C 0.008 176.935 176.870 0.095 0.000 1.346 5350 L CA 0.316 55.224 54.840 0.114 0.000 1.233 5350 L CB -0.223 41.888 42.059 0.087 0.000 1.436 5350 L HN 0.473 nan 8.230 nan 0.000 0.416 5351 V N 1.756 121.752 119.914 0.137 0.000 3.109 5351 V HA 0.317 4.438 4.120 0.002 0.000 0.317 5351 V C 0.562 176.698 176.094 0.070 0.000 1.074 5351 V CA -1.040 61.343 62.300 0.138 0.000 1.033 5351 V CB 1.987 33.950 31.823 0.233 0.000 1.111 5351 V HN 0.389 nan 8.190 nan 0.000 0.458 5352 K N 2.100 122.538 120.400 0.063 0.000 2.416 5352 K HA 0.273 4.594 4.320 0.002 0.000 0.283 5352 K C 1.053 177.674 176.600 0.034 0.000 1.037 5352 K CA 0.915 57.222 56.287 0.033 0.000 0.995 5352 K CB 0.012 32.528 32.500 0.026 0.000 0.938 5352 K HN 1.144 nan 8.250 nan 0.000 0.475 5353 G N 2.552 111.361 108.800 0.015 0.000 2.205 5353 G HA2 -0.393 3.568 3.960 0.002 0.000 0.261 5353 G HA3 -0.393 3.568 3.960 0.002 0.000 0.261 5353 G C 0.364 175.270 174.900 0.010 0.000 0.980 5353 G CA 0.781 45.887 45.100 0.010 0.000 0.632 5353 G HN 0.729 nan 8.290 nan 0.000 0.533 5354 R N 0.340 120.853 120.500 0.021 0.000 2.715 5354 R HA 0.190 4.531 4.340 0.002 0.000 0.266 5354 R C 1.363 177.654 176.300 -0.015 0.000 0.981 5354 R CA 1.276 57.386 56.100 0.016 0.000 1.105 5354 R CB 0.247 30.563 30.300 0.026 0.000 0.953 5354 R HN 0.186 nan 8.270 nan 0.000 0.432 5355 K N 1.695 122.082 120.400 -0.022 0.000 2.365 5355 K HA 0.080 4.401 4.320 0.002 0.000 0.199 5355 K C 0.308 176.846 176.600 -0.103 0.000 1.045 5355 K CA 1.079 57.337 56.287 -0.048 0.000 0.962 5355 K CB 0.178 32.657 32.500 -0.035 0.000 0.759 5355 K HN 0.657 nan 8.250 nan 0.000 0.469 5356 A N 0.352 123.089 122.820 -0.138 0.000 2.257 5356 A HA 0.448 4.769 4.320 0.002 0.000 0.290 5356 A C -0.507 176.969 177.584 -0.179 0.000 1.201 5356 A CA -0.408 51.467 52.037 -0.269 0.000 0.863 5356 A CB 0.391 19.159 19.000 -0.387 0.000 1.256 5356 A HN 0.030 nan 8.150 nan 0.000 0.506 5357 K N -1.120 119.159 120.400 -0.201 0.000 2.090 5357 K HA 0.684 5.005 4.320 0.002 0.000 0.249 5357 K C -1.370 175.192 176.600 -0.065 0.000 0.995 5357 K CA -0.132 56.088 56.287 -0.111 0.000 0.914 5357 K CB 0.886 33.324 32.500 -0.104 0.000 1.057 5357 K HN 0.381 nan 8.250 nan 0.000 0.462 5358 I N 1.488 122.031 120.570 -0.045 0.000 2.560 5358 I HA 0.060 4.231 4.170 0.002 0.000 0.278 5358 I C -0.522 175.577 176.117 -0.030 0.000 1.089 5358 I CA -0.711 60.574 61.300 -0.024 0.000 1.086 5358 I CB 1.211 39.202 38.000 -0.015 0.000 1.202 5358 I HN 0.567 nan 8.210 nan 0.000 0.471 5359 D N 3.620 124.001 120.400 -0.032 0.000 2.474 5359 D HA -0.095 4.547 4.640 0.002 0.000 0.232 5359 D C 1.414 177.693 176.300 -0.035 0.000 1.177 5359 D CA 1.064 55.038 54.000 -0.044 0.000 0.876 5359 D CB 1.277 42.045 40.800 -0.054 0.000 1.208 5359 D HN 0.557 nan 8.370 nan 0.000 0.464 5360 S N 3.093 118.754 115.700 -0.065 0.000 2.380 5360 S HA -0.322 4.150 4.470 0.002 0.000 0.229 5360 S C 2.102 176.642 174.600 -0.101 0.000 1.050 5360 S CA 1.478 59.609 58.200 -0.115 0.000 1.100 5360 S CB -1.198 61.881 63.200 -0.202 0.000 0.984 5360 S HN 0.706 nan 8.310 nan 0.000 0.434 5361 Y N 1.929 122.141 120.300 -0.147 0.000 2.465 5361 Y HA -0.075 4.476 4.550 0.002 0.000 0.289 5361 Y C 2.912 178.785 175.900 -0.045 0.000 1.150 5361 Y CA 1.567 59.581 58.100 -0.143 0.000 1.293 5361 Y CB -0.305 37.948 38.460 -0.345 0.000 0.977 5361 Y HN 0.455 nan 8.280 nan 0.000 0.556 5362 Q N -0.747 119.110 119.800 0.095 0.000 2.302 5362 Q HA -0.119 4.222 4.340 0.002 0.000 0.202 5362 Q C 1.820 177.875 176.000 0.091 0.000 0.936 5362 Q CA 0.593 56.461 55.803 0.108 0.000 0.886 5362 Q CB 0.166 28.931 28.738 0.045 0.000 0.986 5362 Q HN 0.378 nan 8.270 nan 0.000 0.487 5363 E N 0.510 120.718 120.200 0.014 0.000 2.048 5363 E HA -0.209 4.142 4.350 0.002 0.000 0.202 5363 E C -1.056 175.508 176.600 -0.059 0.000 1.021 5363 E CA 1.815 58.199 56.400 -0.027 0.000 0.825 5363 E CB -0.991 28.674 29.700 -0.060 0.000 0.756 5363 E HN 0.262 nan 8.360 nan 0.000 0.454 5364 P HA -0.182 nan 4.420 nan 0.000 0.219 5364 P C 0.361 177.361 177.300 -0.500 0.000 1.145 5364 P CA 1.365 64.274 63.100 -0.319 0.000 0.813 5364 P CB -0.017 31.442 31.700 -0.402 0.000 0.771 5365 F N -2.758 117.158 119.950 -0.056 0.000 2.706 5365 F HA 0.132 4.661 4.527 0.002 0.000 0.313 5365 F C 0.672 176.255 175.800 -0.361 0.000 1.096 5365 F CA -0.131 57.735 58.000 -0.222 0.000 1.219 5365 F CB -0.224 38.694 39.000 -0.135 0.000 1.051 5365 F HN -0.350 nan 8.300 nan 0.000 0.568 5366 T N 0.663 115.198 114.554 -0.032 0.000 2.727 5366 T HA 0.191 4.542 4.350 0.002 0.000 0.295 5366 T C -0.355 174.324 174.700 -0.034 0.000 0.915 5366 T CA -0.195 61.871 62.100 -0.057 0.000 1.066 5366 T CB 0.166 69.029 68.868 -0.008 0.000 0.891 5366 T HN -0.033 nan 8.240 nan 0.000 0.516 5367 H N 1.310 120.147 119.070 -0.388 0.000 2.495 5367 H HA 0.424 4.981 4.556 0.002 0.000 0.350 5367 H C 0.467 175.674 175.328 -0.202 0.000 1.202 5367 H CA -1.326 54.421 56.048 -0.501 0.000 1.322 5367 H CB 0.754 29.724 29.762 -1.320 0.000 1.544 5367 H HN 0.547 nan 8.280 nan 0.000 0.565 5368 S N 0.874 116.574 115.700 0.000 0.000 2.509 5368 S HA 0.288 4.759 4.470 0.002 0.000 0.287 5368 S C 0.480 175.208 174.600 0.213 0.000 1.248 5368 S CA -0.449 57.794 58.200 0.071 0.000 1.089 5368 S CB -0.022 63.194 63.200 0.026 0.000 0.900 5368 S HN 0.787 nan 8.310 nan 0.000 0.496 5369 A N 5.634 128.569 122.820 0.191 0.000 2.603 5369 A HA 0.281 4.602 4.320 0.002 0.000 0.235 5369 A C -0.934 176.782 177.584 0.219 0.000 1.035 5369 A CA -0.516 51.660 52.037 0.232 0.000 0.755 5369 A CB -0.581 18.505 19.000 0.143 0.000 0.954 5369 A HN 0.635 nan 8.150 nan 0.000 0.511 5370 P HA 0.237 nan 4.420 nan 0.000 0.323 5370 P C 0.759 178.100 177.300 0.067 0.000 1.309 5370 P CA -0.305 62.865 63.100 0.117 0.000 0.739 5370 P CB 0.531 32.240 31.700 0.015 0.000 1.454 5371 E N 0.275 120.492 120.200 0.028 0.000 2.001 5371 E HA -0.068 4.283 4.350 0.002 0.000 0.195 5371 E C 0.383 176.997 176.600 0.022 0.000 1.002 5371 E CA 1.342 57.755 56.400 0.020 0.000 0.819 5371 E CB -0.984 28.717 29.700 0.003 0.000 0.769 5371 E HN 0.480 nan 8.360 nan 0.000 0.454 5372 S N -0.097 115.607 115.700 0.008 0.000 2.654 5372 S HA 0.496 4.967 4.470 0.002 0.000 0.283 5372 S C -0.021 174.595 174.600 0.026 0.000 1.180 5372 S CA -0.867 57.340 58.200 0.013 0.000 1.021 5372 S CB 1.437 64.635 63.200 -0.004 0.000 1.018 5372 S HN 0.146 nan 8.310 nan 0.000 0.532 5373 I N 3.221 123.818 120.570 0.044 0.000 2.371 5373 I HA 0.362 4.533 4.170 0.002 0.000 0.282 5373 I C -2.064 174.096 176.117 0.072 0.000 1.031 5373 I CA -2.946 58.400 61.300 0.076 0.000 1.180 5373 I CB 0.369 38.425 38.000 0.094 0.000 1.336 5373 I HN 0.491 nan 8.210 nan 0.000 0.467 5374 P HA 0.156 nan 4.420 nan 0.000 0.269 5374 P C -0.026 177.348 177.300 0.122 0.000 1.209 5374 P CA 0.005 63.126 63.100 0.034 0.000 0.776 5374 P CB 1.151 32.817 31.700 -0.055 0.000 0.876 5375 D N -0.302 120.156 120.400 0.097 0.000 2.462 5375 D HA 0.091 4.732 4.640 0.002 0.000 0.221 5375 D C -0.475 175.931 176.300 0.175 0.000 1.173 5375 D CA -0.185 53.913 54.000 0.164 0.000 0.831 5375 D CB 0.229 41.098 40.800 0.114 0.000 1.001 5375 D HN 0.177 nan 8.370 nan 0.000 0.499 5376 T N 0.156 114.747 114.554 0.060 0.000 2.982 5376 T HA 0.133 4.484 4.350 0.002 0.000 0.321 5376 T C -0.141 174.374 174.700 -0.309 0.000 1.229 5376 T CA -0.675 61.425 62.100 0.000 0.000 1.044 5376 T CB 1.352 70.232 68.868 0.020 0.000 1.184 5376 T HN -0.083 nan 8.240 nan 0.000 0.477 5377 F N 2.614 122.178 119.950 -0.644 0.000 2.147 5377 F HA -0.160 4.368 4.527 0.002 0.000 0.301 5377 F C 2.358 177.898 175.800 -0.434 0.000 1.084 5377 F CA 2.329 59.810 58.000 -0.865 0.000 1.268 5377 F CB 0.257 39.002 39.000 -0.425 0.000 1.009 5377 F HN 0.775 nan 8.300 nan 0.000 0.486 5378 E N 0.231 120.392 120.200 -0.065 0.000 2.072 5378 E HA -0.236 4.115 4.350 0.002 0.000 0.191 5378 E C 1.629 178.112 176.600 -0.194 0.000 0.985 5378 E CA 1.753 58.102 56.400 -0.085 0.000 0.801 5378 E CB -0.485 29.214 29.700 -0.002 0.000 0.750 5378 E HN 0.395 nan 8.360 nan 0.000 0.452 5379 D N 1.209 121.503 120.400 -0.177 0.000 2.106 5379 D HA -0.152 4.489 4.640 0.002 0.000 0.191 5379 D C 1.969 178.127 176.300 -0.235 0.000 0.997 5379 D CA 2.168 56.073 54.000 -0.158 0.000 0.834 5379 D CB -0.575 40.163 40.800 -0.102 0.000 0.956 5379 D HN 0.365 nan 8.370 nan 0.000 0.448 5380 A N 0.450 123.058 122.820 -0.354 0.000 1.978 5380 A HA -0.161 4.161 4.320 0.002 0.000 0.220 5380 A C 2.492 179.805 177.584 -0.453 0.000 1.170 5380 A CA 1.256 53.049 52.037 -0.406 0.000 0.636 5380 A CB -0.796 17.882 19.000 -0.536 0.000 0.810 5380 A HN 0.145 nan 8.150 nan 0.000 0.448 5381 V N 1.450 121.060 119.914 -0.508 0.000 2.231 5381 V HA -0.391 3.731 4.120 0.002 0.000 0.250 5381 V C 2.401 178.316 176.094 -0.298 0.000 1.058 5381 V CA 2.433 64.472 62.300 -0.434 0.000 1.022 5381 V CB -0.945 30.683 31.823 -0.325 0.000 0.640 5381 V HN 0.681 nan 8.190 nan 0.000 0.445 5382 N N 0.375 118.937 118.700 -0.230 0.000 2.051 5382 N HA -0.118 4.624 4.740 0.002 0.000 0.192 5382 N C 1.886 177.285 175.510 -0.185 0.000 1.049 5382 N CA 2.003 54.948 53.050 -0.175 0.000 0.845 5382 N CB -0.434 37.975 38.487 -0.131 0.000 1.031 5382 N HN 0.464 nan 8.380 nan 0.000 0.425 5383 I N 1.268 121.722 120.570 -0.194 0.000 2.181 5383 I HA -0.260 3.911 4.170 0.002 0.000 0.247 5383 I C 1.971 177.934 176.117 -0.257 0.000 1.081 5383 I CA 1.290 62.471 61.300 -0.198 0.000 1.340 5383 I CB -0.415 37.465 38.000 -0.200 0.000 1.036 5383 I HN 0.121 nan 8.210 nan 0.000 0.417 5384 L N 0.349 121.371 121.223 -0.334 0.000 2.416 5384 L HA 0.060 4.401 4.340 0.002 0.000 0.216 5384 L C 0.708 177.413 176.870 -0.275 0.000 1.098 5384 L CA 0.628 55.226 54.840 -0.403 0.000 0.840 5384 L CB -0.816 40.906 42.059 -0.562 0.000 0.981 5384 L HN 0.264 nan 8.230 nan 0.000 0.462 5385 K N 0.597 120.858 120.400 -0.231 0.000 4.418 5385 K HA -0.158 4.163 4.320 0.002 0.000 0.285 5385 K C -2.347 174.160 176.600 -0.155 0.000 0.874 5385 K CA -0.092 56.093 56.287 -0.170 0.000 0.844 5385 K CB -0.862 31.562 32.500 -0.126 0.000 1.691 5385 K HN 0.234 nan 8.250 nan 0.000 0.433 5386 P HA 0.117 nan 4.420 nan 0.000 0.279 5386 P C 0.260 177.487 177.300 -0.122 0.000 1.252 5386 P CA -0.512 62.499 63.100 -0.148 0.000 0.811 5386 P CB 1.711 33.301 31.700 -0.184 0.000 1.035 5387 S N 0.581 116.218 115.700 -0.105 0.000 2.327 5387 S HA 0.029 4.500 4.470 0.002 0.000 0.213 5387 S C 0.721 175.232 174.600 -0.149 0.000 1.032 5387 S CA 0.759 58.895 58.200 -0.108 0.000 0.960 5387 S CB -1.194 61.946 63.200 -0.100 0.000 0.900 5387 S HN 0.532 nan 8.310 nan 0.000 0.469 5388 T N 2.614 117.052 114.554 -0.194 0.000 2.907 5388 T HA 0.681 5.032 4.350 0.002 0.000 0.284 5388 T C -0.931 173.649 174.700 -0.200 0.000 1.004 5388 T CA -0.381 61.579 62.100 -0.235 0.000 1.063 5388 T CB 1.490 70.154 68.868 -0.339 0.000 0.992 5388 T HN 0.172 nan 8.240 nan 0.000 0.483 5389 I N 2.311 122.792 120.570 -0.149 0.000 2.498 5389 I HA 0.584 4.755 4.170 0.002 0.000 0.290 5389 I C -1.469 174.738 176.117 0.149 0.000 1.032 5389 I CA -1.501 59.775 61.300 -0.041 0.000 1.073 5389 I CB 1.376 39.268 38.000 -0.180 0.000 1.251 5389 I HN 0.590 nan 8.210 nan 0.000 0.426 5390 I N 6.489 127.255 120.570 0.327 0.000 2.447 5390 I HA 0.486 4.657 4.170 0.002 0.000 0.287 5390 I C 0.386 176.867 176.117 0.606 0.000 1.023 5390 I CA -0.278 61.325 61.300 0.506 0.000 1.083 5390 I CB 2.053 40.363 38.000 0.515 0.000 1.245 5390 I HN 0.695 nan 8.210 nan 0.000 0.434 5391 G N 5.346 114.391 108.800 0.408 0.000 2.448 5391 G HA2 0.455 4.417 3.960 0.002 0.000 0.309 5391 G HA3 0.455 4.417 3.960 0.002 0.000 0.309 5391 G C -0.052 174.841 174.900 -0.012 0.000 1.027 5391 G CA -0.050 45.022 45.100 -0.048 0.000 1.104 5391 G HN 0.443 nan 8.290 nan 0.000 0.428 5392 V N 2.308 122.245 119.914 0.039 0.000 2.792 5392 V HA 0.280 4.401 4.120 0.002 0.000 0.360 5392 V C 1.133 177.210 176.094 -0.028 0.000 1.306 5392 V CA 0.320 62.612 62.300 -0.013 0.000 1.245 5392 V CB 0.474 32.268 31.823 -0.049 0.000 1.382 5392 V HN 0.821 nan 8.190 nan 0.000 0.636 5393 A N -0.117 122.677 122.820 -0.044 0.000 2.343 5393 A HA 0.525 4.846 4.320 0.002 0.000 0.223 5393 A C 1.901 179.450 177.584 -0.059 0.000 1.214 5393 A CA 0.564 52.579 52.037 -0.037 0.000 0.900 5393 A CB 0.001 18.986 19.000 -0.025 0.000 0.942 5393 A HN 1.320 nan 8.150 nan 0.000 0.507 5394 G N -0.690 108.065 108.800 -0.076 0.000 2.402 5394 G HA2 -0.104 3.857 3.960 0.002 0.000 0.300 5394 G HA3 -0.104 3.857 3.960 0.002 0.000 0.300 5394 G C 0.786 175.645 174.900 -0.068 0.000 0.987 5394 G CA 0.653 45.710 45.100 -0.073 0.000 0.881 5394 G HN 1.483 nan 8.290 nan 0.000 0.512 5395 A N -1.105 121.671 122.820 -0.074 0.000 2.390 5395 A HA 0.702 5.024 4.320 0.002 0.000 0.232 5395 A C 1.815 179.365 177.584 -0.057 0.000 1.233 5395 A CA 1.358 53.360 52.037 -0.059 0.000 0.907 5395 A CB 0.097 19.068 19.000 -0.049 0.000 0.967 5395 A HN 2.525 nan 8.150 nan 0.000 0.512 5396 G N 0.184 108.941 108.800 -0.073 0.000 2.472 5396 G HA2 -0.121 3.840 3.960 0.002 0.000 0.205 5396 G HA3 -0.121 3.840 3.960 0.002 0.000 0.205 5396 G C -0.624 174.230 174.900 -0.076 0.000 1.270 5396 G CA -0.706 44.359 45.100 -0.058 0.000 0.974 5396 G HN 0.473 nan 8.290 nan 0.000 0.542 5397 R N 0.651 121.128 120.500 -0.038 0.000 2.459 5397 R HA 0.293 4.635 4.340 0.002 0.000 0.301 5397 R C 0.190 176.484 176.300 -0.010 0.000 1.286 5397 R CA 0.055 56.140 56.100 -0.025 0.000 1.046 5397 R CB 0.022 30.328 30.300 0.009 0.000 1.071 5397 R HN 0.297 nan 8.270 nan 0.000 0.512 5398 L N 1.307 122.509 121.223 -0.034 0.000 2.817 5398 L HA 0.236 4.577 4.340 0.002 0.000 0.248 5398 L C 0.509 177.475 176.870 0.161 0.000 1.133 5398 L CA 0.441 55.288 54.840 0.013 0.000 0.935 5398 L CB 0.209 42.228 42.059 -0.066 0.000 1.266 5398 L HN 0.479 nan 8.230 nan 0.000 0.535 5399 F N 1.388 121.283 119.950 -0.092 0.000 2.606 5399 F HA 0.138 4.666 4.527 0.002 0.000 0.347 5399 F C 1.426 177.223 175.800 -0.006 0.000 1.207 5399 F CA -0.773 57.200 58.000 -0.046 0.000 1.306 5399 F CB 0.108 39.107 39.000 -0.002 0.000 1.657 5399 F HN 0.016 nan 8.300 nan 0.000 0.606 5400 T N -0.195 114.458 114.554 0.166 0.000 2.724 5400 T HA -0.007 4.344 4.350 0.002 0.000 0.324 5400 T C -1.087 173.655 174.700 0.070 0.000 1.071 5400 T CA -1.202 60.955 62.100 0.094 0.000 1.061 5400 T CB 1.038 69.948 68.868 0.071 0.000 0.990 5400 T HN 0.158 nan 8.240 nan 0.000 0.543 5401 P HA -0.087 nan 4.420 nan 0.000 0.215 5401 P C 0.925 178.234 177.300 0.015 0.000 1.153 5401 P CA 1.392 64.506 63.100 0.023 0.000 0.853 5401 P CB -0.090 31.619 31.700 0.014 0.000 0.788 5402 D N 0.305 120.715 120.400 0.017 0.000 2.095 5402 D HA -0.134 4.507 4.640 0.002 0.000 0.192 5402 D C 2.249 178.549 176.300 -0.001 0.000 0.990 5402 D CA 0.963 54.967 54.000 0.006 0.000 0.836 5402 D CB -1.450 39.356 40.800 0.009 0.000 0.979 5402 D HN -0.044 nan 8.370 nan 0.000 0.447 5403 V N 1.136 121.061 119.914 0.019 0.000 2.313 5403 V HA -0.296 3.825 4.120 0.002 0.000 0.253 5403 V C 2.470 178.540 176.094 -0.039 0.000 1.070 5403 V CA 1.520 63.828 62.300 0.013 0.000 1.057 5403 V CB -0.554 31.320 31.823 0.085 0.000 0.653 5403 V HN 0.176 nan 8.190 nan 0.000 0.450 5404 I N 0.069 120.629 120.570 -0.016 0.000 2.054 5404 I HA -0.270 3.901 4.170 0.002 0.000 0.231 5404 I C 2.783 178.883 176.117 -0.028 0.000 1.052 5404 I CA 2.173 63.458 61.300 -0.024 0.000 1.320 5404 I CB -0.761 37.243 38.000 0.006 0.000 1.063 5404 I HN 0.323 nan 8.210 nan 0.000 0.393 5405 R N 2.163 122.654 120.500 -0.014 0.000 2.165 5405 R HA -0.176 4.165 4.340 0.002 0.000 0.254 5405 R C 1.435 177.719 176.300 -0.026 0.000 1.153 5405 R CA 1.356 57.447 56.100 -0.014 0.000 0.971 5405 R CB -1.283 29.012 30.300 -0.009 0.000 0.878 5405 R HN 0.340 nan 8.270 nan 0.000 0.449 5409 S N 0.453 116.139 115.700 -0.023 0.000 2.377 5409 S HA 0.045 4.516 4.470 0.002 0.000 0.223 5409 S C 1.863 176.446 174.600 -0.028 0.000 1.030 5409 S CA 1.350 59.537 58.200 -0.021 0.000 0.970 5409 S CB -0.542 62.644 63.200 -0.024 0.000 0.830 5409 S HN 0.455 nan 8.310 nan 0.000 0.473 5410 I N 2.119 122.664 120.570 -0.041 0.000 2.252 5410 I HA -0.046 4.125 4.170 0.002 0.000 0.245 5410 I C 0.007 176.100 176.117 -0.041 0.000 1.102 5410 I CA 0.653 61.924 61.300 -0.048 0.000 1.385 5410 I CB -0.249 37.709 38.000 -0.070 0.000 1.064 5410 I HN 0.359 nan 8.210 nan 0.000 0.414 5411 N N 0.873 119.550 118.700 -0.038 0.000 2.354 5411 N HA 0.121 4.862 4.740 0.002 0.000 0.287 5411 N C 0.336 175.837 175.510 -0.015 0.000 1.016 5411 N CA -0.407 52.625 53.050 -0.029 0.000 0.871 5411 N CB 1.753 40.217 38.487 -0.039 0.000 1.299 5411 N HN -0.077 nan 8.380 nan 0.000 0.482 5412 E N 1.262 121.457 120.200 -0.008 0.000 2.130 5412 E HA -0.131 4.220 4.350 0.002 0.000 0.196 5412 E C -0.055 176.549 176.600 0.007 0.000 0.998 5412 E CA 1.415 57.816 56.400 0.002 0.000 0.806 5412 E CB 0.207 29.909 29.700 0.005 0.000 0.738 5412 E HN 0.442 nan 8.360 nan 0.000 0.459 5413 R N 0.574 121.075 120.500 0.001 0.000 2.472 5413 R HA 0.290 4.631 4.340 0.002 0.000 0.294 5413 R C -2.446 173.848 176.300 -0.010 0.000 1.243 5413 R CA -1.521 54.581 56.100 0.004 0.000 1.023 5413 R CB 2.016 32.318 30.300 0.004 0.000 1.157 5413 R HN 0.036 nan 8.270 nan 0.000 0.530 5414 P HA 0.320 nan 4.420 nan 0.000 0.280 5414 P C -0.522 176.767 177.300 -0.018 0.000 1.272 5414 P CA -0.606 62.475 63.100 -0.031 0.000 0.819 5414 P CB 1.259 32.940 31.700 -0.033 0.000 1.122 5415 V N 2.090 121.972 119.914 -0.054 0.000 2.409 5415 V HA 0.371 4.492 4.120 0.002 0.000 0.290 5415 V C 0.091 176.182 176.094 -0.004 0.000 1.017 5415 V CA -0.636 61.638 62.300 -0.043 0.000 0.841 5415 V CB 1.183 32.884 31.823 -0.203 0.000 1.003 5415 V HN 0.437 nan 8.190 nan 0.000 0.426 5416 I N 1.630 122.314 120.570 0.189 0.000 2.436 5416 I HA 0.694 4.866 4.170 0.002 0.000 0.289 5416 I C -1.859 174.584 176.117 0.544 0.000 1.010 5416 I CA -0.846 60.638 61.300 0.306 0.000 1.098 5416 I CB 1.577 39.748 38.000 0.285 0.000 1.266 5416 I HN 0.334 nan 8.210 nan 0.000 0.434 5417 F N 5.223 125.260 119.950 0.145 0.000 2.460 5417 F HA 0.734 5.262 4.527 0.002 0.000 0.341 5417 F C 0.313 176.129 175.800 0.026 0.000 1.130 5417 F CA -1.377 56.610 58.000 -0.023 0.000 0.962 5417 F CB 2.075 41.104 39.000 0.048 0.000 1.171 5417 F HN 0.716 nan 8.300 nan 0.000 0.436 5418 A N 5.116 127.889 122.820 -0.079 0.000 2.399 5418 A HA 0.598 4.919 4.320 0.002 0.000 0.327 5418 A C 0.026 177.562 177.584 -0.080 0.000 1.367 5418 A CA -0.379 51.587 52.037 -0.117 0.000 0.842 5418 A CB 0.078 19.060 19.000 -0.030 0.000 1.142 5418 A HN 0.577 nan 8.150 nan 0.000 0.495 5419 L N 1.035 122.226 121.223 -0.055 0.000 2.513 5419 L HA 0.169 4.510 4.340 0.002 0.000 0.222 5419 L C 1.131 177.968 176.870 -0.055 0.000 1.096 5419 L CA 0.441 55.254 54.840 -0.045 0.000 0.857 5419 L CB -1.928 40.130 42.059 -0.003 0.000 1.026 5419 L HN 0.488 nan 8.230 nan 0.000 0.469 5420 S N 2.205 117.861 115.700 -0.074 0.000 2.599 5420 S HA 0.041 4.512 4.470 0.002 0.000 0.303 5420 S C 0.501 175.059 174.600 -0.071 0.000 1.267 5420 S CA 0.356 58.510 58.200 -0.077 0.000 1.055 5420 S CB 0.071 63.210 63.200 -0.102 0.000 0.790 5420 S HN 0.363 nan 8.310 nan 0.000 0.500 5421 N N 2.895 121.550 118.700 -0.076 0.000 2.265 5421 N HA 0.555 5.296 4.740 0.002 0.000 0.300 5421 N C -2.500 172.958 175.510 -0.086 0.000 1.148 5421 N CA -1.348 51.648 53.050 -0.089 0.000 0.772 5421 N CB 1.419 39.845 38.487 -0.101 0.000 1.434 5421 N HN 0.298 nan 8.380 nan 0.000 0.481 5422 P HA 0.208 nan 4.420 nan 0.000 0.307 5422 P C 0.494 177.730 177.300 -0.106 0.000 1.306 5422 P CA -0.102 62.933 63.100 -0.110 0.000 0.742 5422 P CB 0.181 31.816 31.700 -0.108 0.000 1.349 5423 T N -0.588 113.880 114.554 -0.144 0.000 3.093 5423 T HA -0.047 4.304 4.350 0.002 0.000 0.270 5423 T C 1.448 176.119 174.700 -0.048 0.000 1.170 5423 T CA 1.540 63.545 62.100 -0.159 0.000 1.072 5423 T CB -0.728 67.985 68.868 -0.259 0.000 0.863 5423 T HN 0.498 nan 8.240 nan 0.000 0.562 5424 A N -0.245 122.547 122.820 -0.045 0.000 2.252 5424 A HA 0.255 4.576 4.320 0.002 0.000 0.213 5424 A C 2.100 179.672 177.584 -0.020 0.000 1.188 5424 A CA 0.157 52.183 52.037 -0.019 0.000 0.863 5424 A CB 0.102 19.084 19.000 -0.029 0.000 0.893 5424 A HN 0.240 nan 8.150 nan 0.000 0.495 5425 Q N -0.246 119.533 119.800 -0.036 0.000 2.391 5425 Q HA 0.438 4.779 4.340 0.002 0.000 0.211 5425 Q C 0.955 176.924 176.000 -0.052 0.000 0.908 5425 Q CA 0.577 56.352 55.803 -0.046 0.000 0.920 5425 Q CB -0.117 28.585 28.738 -0.059 0.000 1.056 5425 Q HN 0.563 nan 8.270 nan 0.000 0.523 5426 A N 0.776 123.583 122.820 -0.022 0.000 2.586 5426 A HA -0.089 4.232 4.320 0.002 0.000 0.231 5426 A C 0.809 178.354 177.584 -0.066 0.000 1.055 5426 A CA 0.291 52.325 52.037 -0.006 0.000 0.756 5426 A CB 0.261 19.358 19.000 0.163 0.000 0.988 5426 A HN 0.229 nan 8.150 nan 0.000 0.509 5427 E N -0.321 119.746 120.200 -0.222 0.000 2.152 5427 E HA 0.034 4.385 4.350 0.002 0.000 0.192 5427 E C 0.727 177.236 176.600 -0.151 0.000 0.983 5427 E CA 1.508 57.678 56.400 -0.383 0.000 0.818 5427 E CB -0.260 28.727 29.700 -1.188 0.000 0.758 5427 E HN 0.904 nan 8.360 nan 0.000 0.467 5428 C N -3.426 115.863 119.300 -0.019 0.000 3.314 5428 C HA 0.787 5.248 4.460 0.002 0.000 0.344 5428 C C -0.098 174.890 174.990 -0.003 0.000 1.461 5428 C CA -0.536 58.520 59.018 0.063 0.000 1.249 5428 C CB 1.306 29.164 27.740 0.196 0.000 1.632 5428 C HN 0.179 nan 8.230 nan 0.000 0.452 5429 T N -1.046 113.359 114.554 -0.248 0.000 2.930 5429 T HA 0.638 4.989 4.350 0.002 0.000 0.290 5429 T C 1.113 175.145 174.700 -1.114 0.000 1.052 5429 T CA 0.376 62.030 62.100 -0.743 0.000 1.017 5429 T CB 1.578 70.151 68.868 -0.491 0.000 1.137 5429 T HN 2.136 nan 8.240 nan 0.000 0.511 5430 A N 1.337 123.219 122.820 -1.562 0.000 2.032 5430 A HA -0.031 4.290 4.320 0.002 0.000 0.221 5430 A C 2.020 179.176 177.584 -0.712 0.000 1.165 5430 A CA 2.311 53.519 52.037 -1.382 0.000 0.645 5430 A CB -1.090 17.518 19.000 -0.654 0.000 0.807 5430 A HN 0.981 nan 8.150 nan 0.000 0.453 5431 E N 0.441 120.361 120.200 -0.467 0.000 1.997 5431 E HA -0.186 4.165 4.350 0.002 0.000 0.196 5431 E C 1.800 178.277 176.600 -0.205 0.000 0.990 5431 E CA 1.386 57.657 56.400 -0.214 0.000 0.845 5431 E CB -0.314 29.300 29.700 -0.144 0.000 0.795 5431 E HN 0.713 nan 8.360 nan 0.000 0.479 5432 E N 0.243 120.326 120.200 -0.195 0.000 2.483 5432 E HA -0.256 4.095 4.350 0.002 0.000 0.205 5432 E C 1.441 177.948 176.600 -0.155 0.000 1.075 5432 E CA 0.672 56.995 56.400 -0.129 0.000 0.889 5432 E CB -0.210 29.437 29.700 -0.089 0.000 0.816 5432 E HN 0.282 nan 8.360 nan 0.000 0.567 5433 A N 1.170 123.802 122.820 -0.314 0.000 1.922 5433 A HA 0.036 4.357 4.320 0.002 0.000 0.216 5433 A C 1.836 179.298 177.584 -0.203 0.000 1.370 5433 A CA 0.340 52.160 52.037 -0.361 0.000 0.627 5433 A CB -0.872 17.593 19.000 -0.892 0.000 1.060 5433 A HN 0.264 nan 8.150 nan 0.000 0.487 5434 Y N 1.378 121.604 120.300 -0.123 0.000 2.274 5434 Y HA -0.241 4.310 4.550 0.002 0.000 0.290 5434 Y C 3.181 179.102 175.900 0.035 0.000 1.145 5434 Y CA 1.592 59.703 58.100 0.018 0.000 1.203 5434 Y CB -0.362 38.166 38.460 0.113 0.000 0.984 5434 Y HN 0.573 nan 8.280 nan 0.000 0.533 5435 T N -1.438 113.193 114.554 0.128 0.000 2.732 5435 T HA -0.159 4.192 4.350 0.002 0.000 0.261 5435 T C 1.308 176.040 174.700 0.054 0.000 1.040 5435 T CA 0.839 62.983 62.100 0.074 0.000 1.145 5435 T CB -0.775 68.107 68.868 0.022 0.000 0.866 5435 T HN 0.105 nan 8.240 nan 0.000 0.427 5436 L N 2.923 124.158 121.223 0.020 0.000 2.798 5436 L HA 0.272 4.613 4.340 0.002 0.000 0.254 5436 L C 1.444 178.330 176.870 0.027 0.000 1.176 5436 L CA 1.171 56.019 54.840 0.014 0.000 0.991 5436 L CB -0.835 41.221 42.059 -0.007 0.000 1.225 5436 L HN 0.811 nan 8.230 nan 0.000 0.420 5437 T N -6.807 107.783 114.554 0.060 0.000 3.918 5437 T HA 0.074 4.426 4.350 0.002 0.000 0.318 5437 T C 0.343 175.105 174.700 0.105 0.000 0.885 5437 T CA -0.305 61.837 62.100 0.069 0.000 0.947 5437 T CB -0.017 68.895 68.868 0.072 0.000 1.170 5437 T HN 0.064 nan 8.240 nan 0.000 0.612 5438 E N 1.078 121.346 120.200 0.113 0.000 2.805 5438 E HA -0.226 4.125 4.350 0.002 0.000 0.266 5438 E C 1.079 177.804 176.600 0.208 0.000 1.092 5438 E CA 1.361 57.837 56.400 0.127 0.000 0.781 5438 E CB -2.173 27.578 29.700 0.085 0.000 1.379 5438 E HN 1.749 nan 8.360 nan 0.000 0.433 5439 G N 0.035 109.014 108.800 0.299 0.000 2.225 5439 G HA2 -0.381 3.580 3.960 0.002 0.000 0.264 5439 G HA3 -0.381 3.580 3.960 0.002 0.000 0.264 5439 G C 0.742 175.747 174.900 0.175 0.000 1.060 5439 G CA 0.574 45.912 45.100 0.396 0.000 0.833 5439 G HN 0.358 nan 8.290 nan 0.000 0.498 5440 R N -1.014 119.575 120.500 0.148 0.000 2.250 5440 R HA 0.159 4.500 4.340 0.002 0.000 0.194 5440 R C 2.199 178.543 176.300 0.073 0.000 0.927 5440 R CA 0.784 56.933 56.100 0.081 0.000 1.052 5440 R CB -0.057 30.282 30.300 0.065 0.000 1.055 5440 R HN 0.845 nan 8.270 nan 0.000 0.537 5441 C N 0.479 119.847 119.300 0.113 0.000 2.649 5441 C HA 0.455 4.916 4.460 0.002 0.000 0.377 5441 C C 0.374 175.451 174.990 0.145 0.000 1.321 5441 C CA -1.036 58.042 59.018 0.100 0.000 2.368 5441 C CB -0.281 27.502 27.740 0.072 0.000 2.597 5441 C HN 0.178 nan 8.230 nan 0.000 0.678 5442 L N 2.427 123.734 121.223 0.141 0.000 2.318 5442 L HA 0.482 4.824 4.340 0.002 0.000 0.277 5442 L C -0.291 176.740 176.870 0.268 0.000 1.008 5442 L CA 0.011 54.964 54.840 0.189 0.000 0.846 5442 L CB 0.589 42.731 42.059 0.139 0.000 1.220 5442 L HN 0.785 nan 8.230 nan 0.000 0.423 5443 F N 3.302 123.272 119.950 0.034 0.000 2.492 5443 F HA 0.857 5.386 4.527 0.002 0.000 0.327 5443 F C -0.203 175.559 175.800 -0.064 0.000 1.079 5443 F CA -0.484 57.472 58.000 -0.072 0.000 0.967 5443 F CB 1.582 40.280 39.000 -0.504 0.000 1.169 5443 F HN 0.417 nan 8.300 nan 0.000 0.472 5444 A N 3.142 125.251 122.820 -1.185 0.000 2.517 5444 A HA 0.647 4.968 4.320 0.002 0.000 0.297 5444 A C -1.410 175.474 177.584 -1.166 0.000 1.050 5444 A CA -0.407 51.033 52.037 -0.995 0.000 0.694 5444 A CB 1.076 19.294 19.000 -1.303 0.000 1.277 5444 A HN 0.904 nan 8.150 nan 0.000 0.400 5445 S N 0.559 115.942 115.700 -0.527 0.000 2.607 5445 S HA 0.708 5.180 4.470 0.002 0.000 0.303 5445 S C 0.939 175.468 174.600 -0.119 0.000 1.086 5445 S CA -0.107 57.981 58.200 -0.188 0.000 0.995 5445 S CB 1.708 65.174 63.200 0.442 0.000 1.084 5445 S HN 1.601 nan 8.310 nan 0.000 0.507 5446 G N 0.757 109.511 108.800 -0.077 0.000 2.408 5446 G HA2 0.162 4.123 3.960 0.002 0.000 0.215 5446 G HA3 0.162 4.123 3.960 0.002 0.000 0.215 5446 G C 0.328 175.168 174.900 -0.099 0.000 1.156 5446 G CA 0.051 45.098 45.100 -0.088 0.000 0.793 5446 G HN 0.664 nan 8.290 nan 0.000 0.535 5447 S N 1.490 117.123 115.700 -0.111 0.000 2.646 5447 S HA 0.508 4.979 4.470 0.002 0.000 0.276 5447 S C -2.494 171.936 174.600 -0.283 0.000 1.222 5447 S CA -1.086 56.977 58.200 -0.228 0.000 1.014 5447 S CB 2.065 65.062 63.200 -0.338 0.000 0.991 5447 S HN 0.080 nan 8.310 nan 0.000 0.533 5448 P HA 0.342 nan 4.420 nan 0.000 0.271 5448 P C -1.180 175.915 177.300 -0.342 0.000 1.218 5448 P CA -0.024 62.968 63.100 -0.180 0.000 0.780 5448 P CB 0.182 31.811 31.700 -0.120 0.000 0.901 5449 F N -0.035 119.972 119.950 0.096 0.000 2.604 5449 F HA 0.387 4.916 4.527 0.002 0.000 0.316 5449 F C 0.769 176.637 175.800 0.114 0.000 1.136 5449 F CA -0.773 57.292 58.000 0.109 0.000 0.989 5449 F CB 2.166 41.267 39.000 0.167 0.000 1.258 5449 F HN 0.302 nan 8.300 nan 0.000 0.451 5450 G N 3.098 112.089 108.800 0.319 0.000 2.444 5450 G HA2 0.520 4.481 3.960 0.002 0.000 0.268 5450 G HA3 0.520 4.481 3.960 0.002 0.000 0.268 5450 G C -2.629 172.389 174.900 0.196 0.000 1.203 5450 G CA -1.308 43.916 45.100 0.205 0.000 0.835 5450 G HN 0.267 nan 8.290 nan 0.000 0.543 5451 P HA 0.069 nan 4.420 nan 0.000 0.274 5451 P C -0.421 176.947 177.300 0.114 0.000 1.224 5451 P CA -0.084 63.103 63.100 0.145 0.000 0.803 5451 P CB 0.449 32.203 31.700 0.091 0.000 0.876 5452 V N 1.036 121.007 119.914 0.093 0.000 2.686 5452 V HA 0.394 4.515 4.120 0.002 0.000 0.306 5452 V C -0.180 175.873 176.094 -0.069 0.000 1.065 5452 V CA -0.491 61.843 62.300 0.056 0.000 0.894 5452 V CB 1.945 33.872 31.823 0.172 0.000 1.004 5452 V HN 0.453 nan 8.190 nan 0.000 0.424 5453 K N 5.069 125.421 120.400 -0.080 0.000 2.535 5453 K HA 0.664 4.985 4.320 0.002 0.000 0.253 5453 K C -1.130 175.407 176.600 -0.104 0.000 0.953 5453 K CA -0.599 55.599 56.287 -0.148 0.000 0.863 5453 K CB 1.292 33.721 32.500 -0.118 0.000 1.111 5453 K HN 0.516 nan 8.250 nan 0.000 0.431 5454 L N 1.886 123.032 121.223 -0.128 0.000 2.543 5454 L HA 0.274 4.616 4.340 0.002 0.000 0.231 5454 L C 2.201 179.032 176.870 -0.065 0.000 1.194 5454 L CA -0.254 54.544 54.840 -0.070 0.000 0.823 5454 L CB -0.109 41.920 42.059 -0.050 0.000 1.374 5454 L HN 0.784 nan 8.230 nan 0.000 0.507 5455 T N -3.716 110.814 114.554 -0.040 0.000 2.897 5455 T HA -0.162 4.189 4.350 0.002 0.000 0.271 5455 T C 0.945 175.620 174.700 -0.042 0.000 1.084 5455 T CA 1.494 63.574 62.100 -0.034 0.000 1.123 5455 T CB -0.662 68.194 68.868 -0.020 0.000 0.865 5455 T HN 0.661 nan 8.240 nan 0.000 0.496 5456 D N 1.345 121.712 120.400 -0.054 0.000 2.363 5456 D HA 0.246 4.887 4.640 0.002 0.000 0.220 5456 D C 1.627 177.878 176.300 -0.080 0.000 0.994 5456 D CA 0.797 54.761 54.000 -0.059 0.000 0.890 5456 D CB -0.805 39.958 40.800 -0.062 0.000 0.906 5456 D HN 0.661 nan 8.370 nan 0.000 0.530 5457 G N 0.880 109.622 108.800 -0.096 0.000 2.198 5457 G HA2 -0.352 3.609 3.960 0.002 0.000 0.257 5457 G HA3 -0.352 3.609 3.960 0.002 0.000 0.257 5457 G C 0.000 174.804 174.900 -0.161 0.000 1.042 5457 G CA -0.368 44.669 45.100 -0.105 0.000 0.791 5457 G HN 0.302 nan 8.290 nan 0.000 0.502 5458 R N -0.414 119.945 120.500 -0.236 0.000 2.255 5458 R HA 0.563 4.904 4.340 0.002 0.000 0.326 5458 R C 0.209 176.155 176.300 -0.591 0.000 0.986 5458 R CA -0.477 55.374 56.100 -0.415 0.000 0.847 5458 R CB 1.639 31.663 30.300 -0.460 0.000 1.111 5458 R HN 0.205 nan 8.270 nan 0.000 0.452 5459 V N 3.298 122.871 119.914 -0.569 0.000 2.483 5459 V HA 0.568 4.689 4.120 0.002 0.000 0.295 5459 V C -0.616 175.149 176.094 -0.548 0.000 1.035 5459 V CA -0.857 61.166 62.300 -0.463 0.000 0.896 5459 V CB 1.253 32.956 31.823 -0.199 0.000 0.986 5459 V HN 0.457 nan 8.190 nan 0.000 0.447 5460 F N 0.959 120.794 119.950 -0.192 0.000 2.540 5460 F HA 0.595 5.123 4.527 0.002 0.000 0.317 5460 F C 0.540 176.283 175.800 -0.095 0.000 1.104 5460 F CA -0.947 56.883 58.000 -0.283 0.000 0.913 5460 F CB 2.355 40.846 39.000 -0.848 0.000 1.170 5460 F HN 0.366 nan 8.300 nan 0.000 0.450 5461 T N 5.386 120.074 114.554 0.224 0.000 3.042 5461 T HA 0.295 4.646 4.350 0.002 0.000 0.356 5461 T C -2.570 172.300 174.700 0.283 0.000 1.233 5461 T CA -1.402 60.831 62.100 0.221 0.000 1.038 5461 T CB 0.438 69.402 68.868 0.161 0.000 1.089 5461 T HN 0.158 nan 8.240 nan 0.000 0.531 5462 P HA 0.159 nan 4.420 nan 0.000 0.267 5462 P C 0.364 177.870 177.300 0.342 0.000 1.200 5462 P CA -0.093 63.300 63.100 0.489 0.000 0.772 5462 P CB 0.649 32.727 31.700 0.631 0.000 0.855 5463 G N 1.709 110.675 108.800 0.277 0.000 2.400 5463 G HA2 0.429 4.391 3.960 0.002 0.000 0.301 5463 G HA3 0.429 4.391 3.960 0.002 0.000 0.301 5463 G C -0.900 174.107 174.900 0.178 0.000 1.154 5463 G CA -0.433 44.828 45.100 0.267 0.000 0.852 5463 G HN 0.601 nan 8.290 nan 0.000 0.511 5464 Q N 0.748 120.617 119.800 0.116 0.000 2.331 5464 Q HA 0.550 4.891 4.340 0.002 0.000 0.267 5464 Q C 0.288 176.120 176.000 -0.280 0.000 1.006 5464 Q CA -0.937 54.840 55.803 -0.043 0.000 0.818 5464 Q CB 1.593 30.332 28.738 0.001 0.000 1.276 5464 Q HN 0.528 nan 8.270 nan 0.000 0.450 5465 G N 3.708 112.240 108.800 -0.447 0.000 3.882 5465 G HA2 0.010 3.971 3.960 0.002 0.000 0.283 5465 G HA3 0.010 3.971 3.960 0.002 0.000 0.283 5465 G C -0.072 174.703 174.900 -0.209 0.000 1.283 5465 G CA -0.479 44.213 45.100 -0.681 0.000 1.402 5465 G HN 0.647 nan 8.290 nan 0.000 0.618 5466 N N 0.841 119.458 118.700 -0.139 0.000 2.357 5466 N HA -0.061 4.680 4.740 0.002 0.000 0.257 5466 N C 1.339 176.839 175.510 -0.016 0.000 1.250 5466 N CA -0.124 52.870 53.050 -0.094 0.000 0.862 5466 N CB 0.598 38.986 38.487 -0.166 0.000 1.066 5466 N HN 0.078 nan 8.380 nan 0.000 0.468 5467 N N 2.295 121.067 118.700 0.119 0.000 2.513 5467 N HA -0.138 4.603 4.740 0.002 0.000 0.187 5467 N C 1.442 177.009 175.510 0.094 0.000 1.056 5467 N CA 0.244 53.431 53.050 0.229 0.000 0.907 5467 N CB -0.187 38.534 38.487 0.390 0.000 0.954 5467 N HN 0.433 nan 8.380 nan 0.000 0.445 5468 V N 0.097 119.986 119.914 -0.042 0.000 2.944 5468 V HA -0.250 3.871 4.120 0.002 0.000 0.265 5468 V C 1.187 176.973 176.094 -0.513 0.000 1.125 5468 V CA 1.428 63.483 62.300 -0.408 0.000 1.145 5468 V CB -0.703 30.978 31.823 -0.236 0.000 0.725 5468 V HN 0.331 nan 8.190 nan 0.000 0.510 5469 Y N -1.068 119.104 120.300 -0.212 0.000 2.439 5469 Y HA -0.040 4.511 4.550 0.002 0.000 0.292 5469 Y C 1.923 177.718 175.900 -0.176 0.000 1.130 5469 Y CA 0.862 58.872 58.100 -0.150 0.000 1.254 5469 Y CB 0.324 38.755 38.460 -0.048 0.000 1.000 5469 Y HN 0.295 nan 8.280 nan 0.000 0.554 5470 I N -1.807 118.713 120.570 -0.083 0.000 4.412 5470 I HA -0.073 4.098 4.170 0.002 0.000 0.236 5470 I C 2.188 178.187 176.117 -0.198 0.000 1.046 5470 I CA 0.208 61.469 61.300 -0.066 0.000 1.677 5470 I CB -1.837 36.237 38.000 0.122 0.000 1.542 5470 I HN 0.141 nan 8.210 nan 0.000 0.459 5471 F N 2.303 122.244 119.950 -0.015 0.000 2.127 5471 F HA -0.176 4.352 4.527 0.002 0.000 0.299 5471 F C -0.861 174.761 175.800 -0.297 0.000 1.068 5471 F CA 1.523 59.471 58.000 -0.087 0.000 1.263 5471 F CB -3.027 36.091 39.000 0.198 0.000 1.016 5471 F HN 0.124 nan 8.300 nan 0.000 0.491 5472 P HA -0.011 nan 4.420 nan 0.000 0.213 5472 P C 2.180 179.304 177.300 -0.293 0.000 1.170 5472 P CA 2.286 65.091 63.100 -0.492 0.000 0.893 5472 P CB -0.541 30.865 31.700 -0.491 0.000 0.784 5473 G N -0.131 108.523 108.800 -0.244 0.000 2.446 5473 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 5473 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 5473 G C 1.626 176.431 174.900 -0.158 0.000 1.168 5473 G CA 1.092 46.098 45.100 -0.156 0.000 0.771 5473 G HN 0.130 nan 8.290 nan 0.000 0.551 5474 V N 1.823 121.615 119.914 -0.204 0.000 2.233 5474 V HA -0.191 3.931 4.120 0.002 0.000 0.247 5474 V C 3.354 179.329 176.094 -0.198 0.000 1.050 5474 V CA 2.244 64.387 62.300 -0.262 0.000 1.010 5474 V CB -1.285 30.283 31.823 -0.426 0.000 0.637 5474 V HN 0.506 nan 8.190 nan 0.000 0.444 5475 A N 0.075 122.805 122.820 -0.150 0.000 1.869 5475 A HA -0.290 4.031 4.320 0.002 0.000 0.218 5475 A C 2.215 179.788 177.584 -0.019 0.000 1.203 5475 A CA 2.543 54.576 52.037 -0.007 0.000 0.638 5475 A CB -0.900 18.090 19.000 -0.016 0.000 0.831 5475 A HN 0.457 nan 8.150 nan 0.000 0.450 5476 L N -0.310 120.879 121.223 -0.056 0.000 1.976 5476 L HA -0.276 4.066 4.340 0.002 0.000 0.223 5476 L C 2.775 179.620 176.870 -0.041 0.000 1.081 5476 L CA 2.906 57.723 54.840 -0.039 0.000 0.784 5476 L CB -1.043 40.982 42.059 -0.056 0.000 0.896 5476 L HN 0.447 nan 8.230 nan 0.000 0.438 5477 A N -1.389 121.397 122.820 -0.057 0.000 1.873 5477 A HA -0.215 4.106 4.320 0.002 0.000 0.218 5477 A C 2.292 179.851 177.584 -0.041 0.000 1.193 5477 A CA 2.465 54.476 52.037 -0.043 0.000 0.629 5477 A CB -1.348 17.618 19.000 -0.057 0.000 0.826 5477 A HN 0.365 nan 8.150 nan 0.000 0.447 5478 V N -0.297 119.584 119.914 -0.055 0.000 2.220 5478 V HA -0.337 3.784 4.120 0.002 0.000 0.250 5478 V C 2.409 178.497 176.094 -0.010 0.000 1.056 5478 V CA 2.436 64.713 62.300 -0.039 0.000 1.016 5478 V CB -0.749 31.063 31.823 -0.019 0.000 0.639 5478 V HN 0.567 nan 8.190 nan 0.000 0.446 5479 I N -0.581 119.994 120.570 0.009 0.000 2.087 5479 I HA -0.304 3.867 4.170 0.002 0.000 0.240 5479 I C 2.092 178.217 176.117 0.013 0.000 1.054 5479 I CA 1.913 63.220 61.300 0.013 0.000 1.311 5479 I CB -0.436 37.567 38.000 0.006 0.000 1.024 5479 I HN 0.224 nan 8.210 nan 0.000 0.402 5480 L N -0.932 120.292 121.223 0.002 0.000 2.549 5480 L HA -0.210 4.131 4.340 0.002 0.000 0.229 5480 L C 1.866 178.800 176.870 0.106 0.000 1.158 5480 L CA 0.352 55.209 54.840 0.028 0.000 0.842 5480 L CB -0.500 41.529 42.059 -0.050 0.000 0.952 5480 L HN 0.395 nan 8.230 nan 0.000 0.452 5481 C N -0.844 118.476 119.300 0.033 0.000 3.070 5481 C HA 0.175 4.636 4.460 0.002 0.000 0.280 5481 C C 1.333 176.324 174.990 0.002 0.000 1.264 5481 C CA -0.344 58.652 59.018 -0.037 0.000 1.690 5481 C CB -1.167 26.483 27.740 -0.149 0.000 2.049 5481 C HN 0.666 nan 8.230 nan 0.000 0.636 5482 N N 0.302 119.027 118.700 0.041 0.000 2.714 5482 N HA -0.147 4.594 4.740 0.002 0.000 0.250 5482 N C -0.439 175.047 175.510 -0.041 0.000 1.117 5482 N CA 0.448 53.542 53.050 0.073 0.000 0.719 5482 N CB -1.043 37.558 38.487 0.190 0.000 1.081 5482 N HN 0.485 nan 8.380 nan 0.000 0.557 5483 T N -0.185 114.306 114.554 -0.105 0.000 2.902 5483 T HA 0.221 4.572 4.350 0.002 0.000 0.301 5483 T C 1.758 176.365 174.700 -0.154 0.000 1.012 5483 T CA 0.641 62.612 62.100 -0.215 0.000 1.151 5483 T CB 1.251 70.046 68.868 -0.122 0.000 0.946 5483 T HN 0.515 nan 8.240 nan 0.000 0.542 5484 R N 2.473 122.825 120.500 -0.247 0.000 2.093 5484 R HA 0.069 4.411 4.340 0.002 0.000 0.224 5484 R C 0.597 177.077 176.300 0.299 0.000 1.101 5484 R CA 1.297 57.443 56.100 0.077 0.000 0.979 5484 R CB -0.765 29.625 30.300 0.149 0.000 0.877 5484 R HN 0.847 nan 8.270 nan 0.000 0.441 5485 H N -1.809 117.221 119.070 -0.068 0.000 2.946 5485 H HA 0.644 5.201 4.556 0.002 0.000 0.365 5485 H C -0.720 174.625 175.328 0.028 0.000 1.197 5485 H CA -1.454 54.609 56.048 0.026 0.000 1.131 5485 H CB 1.535 31.324 29.762 0.045 0.000 1.849 5485 H HN 0.170 nan 8.280 nan 0.000 0.555 5486 I N 1.131 121.829 120.570 0.214 0.000 2.382 5486 I HA 0.361 4.533 4.170 0.002 0.000 0.286 5486 I C -0.205 176.029 176.117 0.196 0.000 1.002 5486 I CA -0.784 60.596 61.300 0.135 0.000 1.135 5486 I CB 1.234 39.287 38.000 0.088 0.000 1.288 5486 I HN 0.447 nan 8.210 nan 0.000 0.448 5487 S N 3.197 118.991 115.700 0.156 0.000 2.586 5487 S HA 0.211 4.682 4.470 0.002 0.000 0.274 5487 S C 0.604 175.346 174.600 0.237 0.000 1.281 5487 S CA -0.675 57.637 58.200 0.187 0.000 1.035 5487 S CB 1.921 65.221 63.200 0.165 0.000 0.962 5487 S HN 0.524 nan 8.310 nan 0.000 0.512 5488 D N 2.142 122.694 120.400 0.254 0.000 2.158 5488 D HA -0.154 4.487 4.640 0.002 0.000 0.197 5488 D C 2.223 178.670 176.300 0.245 0.000 0.995 5488 D CA 1.896 56.070 54.000 0.290 0.000 0.846 5488 D CB -0.570 40.339 40.800 0.182 0.000 0.941 5488 D HN 0.709 nan 8.370 nan 0.000 0.456 5489 S N -0.054 115.745 115.700 0.165 0.000 2.400 5489 S HA -0.160 4.311 4.470 0.002 0.000 0.232 5489 S C 2.207 176.768 174.600 -0.065 0.000 1.025 5489 S CA 1.321 59.581 58.200 0.100 0.000 0.993 5489 S CB -0.695 62.609 63.200 0.173 0.000 0.808 5489 S HN 0.145 nan 8.310 nan 0.000 0.478 5490 V N 1.048 120.906 119.914 -0.093 0.000 2.255 5490 V HA -0.161 3.960 4.120 0.002 0.000 0.247 5490 V C 2.282 178.176 176.094 -0.334 0.000 1.051 5490 V CA 2.161 64.243 62.300 -0.364 0.000 1.018 5490 V CB -1.424 30.210 31.823 -0.315 0.000 0.641 5490 V HN 0.451 nan 8.190 nan 0.000 0.445 5491 F N -0.053 119.808 119.950 -0.148 0.000 2.046 5491 F HA -0.208 4.320 4.527 0.002 0.000 0.297 5491 F C 2.333 178.076 175.800 -0.096 0.000 1.123 5491 F CA 2.140 60.067 58.000 -0.121 0.000 1.199 5491 F CB -0.766 38.190 39.000 -0.073 0.000 0.972 5491 F HN 0.041 nan 8.300 nan 0.000 0.474 5492 L N -0.019 121.293 121.223 0.147 0.000 2.129 5492 L HA -0.242 4.099 4.340 0.002 0.000 0.212 5492 L C 2.476 179.339 176.870 -0.010 0.000 1.087 5492 L CA 1.548 56.432 54.840 0.074 0.000 0.757 5492 L CB -0.366 41.739 42.059 0.077 0.000 0.896 5492 L HN 0.087 nan 8.230 nan 0.000 0.434 5493 E N 0.215 120.340 120.200 -0.125 0.000 2.047 5493 E HA -0.179 4.172 4.350 0.002 0.000 0.191 5493 E C 2.185 178.701 176.600 -0.141 0.000 0.987 5493 E CA 1.373 57.645 56.400 -0.214 0.000 0.799 5493 E CB -0.250 29.101 29.700 -0.581 0.000 0.752 5493 E HN 0.622 nan 8.360 nan 0.000 0.449 5494 A N 1.370 124.102 122.820 -0.147 0.000 1.908 5494 A HA -0.149 4.173 4.320 0.002 0.000 0.218 5494 A C 2.444 180.016 177.584 -0.021 0.000 1.181 5494 A CA 2.422 54.403 52.037 -0.093 0.000 0.627 5494 A CB -0.862 18.072 19.000 -0.110 0.000 0.818 5494 A HN 0.327 nan 8.150 nan 0.000 0.445 5495 A N 0.175 123.007 122.820 0.020 0.000 1.859 5495 A HA -0.300 4.021 4.320 0.002 0.000 0.218 5495 A C 2.081 179.674 177.584 0.015 0.000 1.209 5495 A CA 2.407 54.472 52.037 0.047 0.000 0.639 5495 A CB -0.738 18.304 19.000 0.069 0.000 0.835 5495 A HN 0.552 nan 8.150 nan 0.000 0.450 5496 K N -0.329 120.074 120.400 0.005 0.000 2.020 5496 K HA -0.133 4.188 4.320 0.002 0.000 0.212 5496 K C 2.317 178.910 176.600 -0.011 0.000 1.050 5496 K CA 1.542 57.828 56.287 -0.002 0.000 0.929 5496 K CB -0.551 31.950 32.500 0.003 0.000 0.714 5496 K HN 0.496 nan 8.250 nan 0.000 0.443 5497 A N 1.540 124.349 122.820 -0.019 0.000 1.896 5497 A HA -0.247 4.074 4.320 0.002 0.000 0.220 5497 A C 2.094 179.668 177.584 -0.017 0.000 1.206 5497 A CA 1.846 53.872 52.037 -0.019 0.000 0.647 5497 A CB -0.880 18.099 19.000 -0.036 0.000 0.828 5497 A HN 0.269 nan 8.150 nan 0.000 0.455 5498 L N -0.421 120.792 121.223 -0.017 0.000 1.924 5498 L HA -0.156 4.185 4.340 0.002 0.000 0.222 5498 L C 2.436 179.275 176.870 -0.052 0.000 1.081 5498 L CA 3.055 57.879 54.840 -0.027 0.000 0.780 5498 L CB -1.584 40.468 42.059 -0.012 0.000 0.891 5498 L HN 0.449 nan 8.230 nan 0.000 0.434 5499 T N 0.221 114.737 114.554 -0.064 0.000 2.635 5499 T HA -0.300 4.052 4.350 0.002 0.000 0.265 5499 T C 1.860 176.524 174.700 -0.061 0.000 1.058 5499 T CA 2.505 64.551 62.100 -0.089 0.000 1.162 5499 T CB -0.858 67.967 68.868 -0.073 0.000 0.859 5499 T HN 0.685 nan 8.240 nan 0.000 0.449 5500 S N 1.628 117.308 115.700 -0.034 0.000 2.441 5500 S HA -0.224 4.247 4.470 0.002 0.000 0.242 5500 S C 1.887 176.477 174.600 -0.018 0.000 1.018 5500 S CA 0.920 59.109 58.200 -0.018 0.000 0.988 5500 S CB -0.484 62.712 63.200 -0.005 0.000 0.778 5500 S HN 0.511 nan 8.310 nan 0.000 0.498 5501 Q N 0.233 120.018 119.800 -0.025 0.000 2.167 5501 Q HA 0.130 4.471 4.340 0.002 0.000 0.202 5501 Q C 0.825 176.815 176.000 -0.016 0.000 0.970 5501 Q CA 0.236 56.030 55.803 -0.015 0.000 0.855 5501 Q CB -0.513 28.215 28.738 -0.015 0.000 0.911 5501 Q HN 0.410 nan 8.270 nan 0.000 0.438 5502 L N 1.932 123.133 121.223 -0.035 0.000 2.536 5502 L HA -0.064 4.277 4.340 0.002 0.000 0.294 5502 L C 0.691 177.554 176.870 -0.011 0.000 1.257 5502 L CA 1.269 56.090 54.840 -0.032 0.000 0.850 5502 L CB 0.108 42.133 42.059 -0.056 0.000 1.105 5502 L HN 0.206 nan 8.230 nan 0.000 0.517 5503 T N -1.028 113.525 114.554 -0.002 0.000 2.856 5503 T HA 0.365 4.717 4.350 0.002 0.000 0.283 5503 T C 0.799 175.503 174.700 0.007 0.000 1.008 5503 T CA -0.425 61.679 62.100 0.006 0.000 0.997 5503 T CB 1.030 69.906 68.868 0.014 0.000 0.992 5503 T HN 0.563 nan 8.240 nan 0.000 0.454 5504 D N 2.093 122.498 120.400 0.008 0.000 2.172 5504 D HA -0.157 4.484 4.640 0.002 0.000 0.196 5504 D C 1.494 177.804 176.300 0.016 0.000 0.999 5504 D CA 1.637 55.643 54.000 0.010 0.000 0.856 5504 D CB -0.047 40.759 40.800 0.011 0.000 0.934 5504 D HN 0.761 nan 8.370 nan 0.000 0.453 5505 E N 0.431 120.643 120.200 0.020 0.000 2.112 5505 E HA -0.051 4.300 4.350 0.002 0.000 0.190 5505 E C 1.857 178.477 176.600 0.033 0.000 0.979 5505 E CA 0.652 57.068 56.400 0.026 0.000 0.814 5505 E CB -0.155 29.560 29.700 0.025 0.000 0.762 5505 E HN 0.348 nan 8.360 nan 0.000 0.460 5506 E N 0.076 120.294 120.200 0.030 0.000 2.106 5506 E HA -0.139 4.212 4.350 0.002 0.000 0.192 5506 E C 1.596 178.216 176.600 0.032 0.000 0.984 5506 E CA 0.399 56.821 56.400 0.037 0.000 0.806 5506 E CB 0.064 29.782 29.700 0.030 0.000 0.750 5506 E HN 0.075 nan 8.360 nan 0.000 0.458 5507 L N 0.593 121.827 121.223 0.018 0.000 2.017 5507 L HA -0.174 4.167 4.340 0.002 0.000 0.208 5507 L C 2.359 179.241 176.870 0.019 0.000 1.073 5507 L CA 1.974 56.819 54.840 0.009 0.000 0.745 5507 L CB -1.543 40.517 42.059 0.002 0.000 0.894 5507 L HN 0.112 nan 8.230 nan 0.000 0.432 5508 A N -0.569 122.271 122.820 0.033 0.000 1.859 5508 A HA -0.273 4.048 4.320 0.002 0.000 0.217 5508 A C 2.027 179.666 177.584 0.091 0.000 1.198 5508 A CA 1.810 53.880 52.037 0.055 0.000 0.629 5508 A CB -0.647 18.385 19.000 0.053 0.000 0.830 5508 A HN 0.605 nan 8.150 nan 0.000 0.446 5509 Q N -1.609 118.245 119.800 0.090 0.000 2.268 5509 Q HA -0.111 4.230 4.340 0.002 0.000 0.210 5509 Q C 1.315 177.396 176.000 0.135 0.000 0.988 5509 Q CA 1.176 57.056 55.803 0.127 0.000 0.883 5509 Q CB -0.543 28.253 28.738 0.097 0.000 0.911 5509 Q HN 1.300 nan 8.270 nan 0.000 0.430 5510 G N 1.416 110.248 108.800 0.053 0.000 2.142 5510 G HA2 -0.265 3.696 3.960 0.002 0.000 0.225 5510 G HA3 -0.265 3.696 3.960 0.002 0.000 0.225 5510 G C -0.416 174.515 174.900 0.052 0.000 1.015 5510 G CA 0.119 45.207 45.100 -0.019 0.000 0.716 5510 G HN 0.382 nan 8.290 nan 0.000 0.508 5511 R N -0.552 119.989 120.500 0.069 0.000 2.265 5511 R HA 0.689 5.030 4.340 0.002 0.000 0.319 5511 R C 0.594 176.903 176.300 0.014 0.000 1.006 5511 R CA -0.946 55.209 56.100 0.091 0.000 0.880 5511 R CB 0.808 31.180 30.300 0.120 0.000 1.077 5511 R HN 0.041 nan 8.270 nan 0.000 0.454 5512 L N 2.448 123.647 121.223 -0.039 0.000 2.688 5512 L HA 0.291 4.632 4.340 0.002 0.000 0.234 5512 L C -0.719 175.786 176.870 -0.608 0.000 1.192 5512 L CA 0.156 54.832 54.840 -0.273 0.000 0.984 5512 L CB -0.874 40.997 42.059 -0.313 0.000 1.232 5512 L HN 0.610 nan 8.230 nan 0.000 0.465 5513 Y N -1.531 118.723 120.300 -0.077 0.000 2.399 5513 Y HA 0.403 4.954 4.550 0.002 0.000 0.327 5513 Y C -2.279 173.564 175.900 -0.095 0.000 1.111 5513 Y CA -2.407 55.577 58.100 -0.193 0.000 1.047 5513 Y CB 1.594 39.940 38.460 -0.190 0.000 1.259 5513 Y HN -0.114 nan 8.280 nan 0.000 0.434 5514 P HA -0.043 nan 4.420 nan 0.000 0.270 5514 P C -2.586 174.837 177.300 0.206 0.000 1.216 5514 P CA -0.713 62.442 63.100 0.091 0.000 0.788 5514 P CB -0.071 31.672 31.700 0.073 0.000 0.883 5515 P HA 0.041 nan 4.420 nan 0.000 0.276 5515 P C 0.601 178.001 177.300 0.167 0.000 1.243 5515 P CA -0.147 63.046 63.100 0.155 0.000 0.768 5515 P CB 0.486 32.246 31.700 0.102 0.000 0.856 5516 L N 4.074 125.388 121.223 0.151 0.000 2.349 5516 L HA -0.160 4.181 4.340 0.002 0.000 0.220 5516 L C 2.345 179.237 176.870 0.036 0.000 1.130 5516 L CA 1.620 56.497 54.840 0.062 0.000 0.791 5516 L CB -1.473 40.583 42.059 -0.005 0.000 0.918 5516 L HN 0.465 nan 8.230 nan 0.000 0.444 5517 A N -0.646 122.206 122.820 0.052 0.000 2.178 5517 A HA -0.141 4.180 4.320 0.002 0.000 0.218 5517 A C 1.114 178.718 177.584 0.033 0.000 1.157 5517 A CA 1.515 53.573 52.037 0.035 0.000 0.689 5517 A CB -0.777 18.245 19.000 0.037 0.000 0.787 5517 A HN 0.694 nan 8.150 nan 0.000 0.465 5518 N N -1.122 117.608 118.700 0.050 0.000 2.553 5518 N HA 0.278 5.019 4.740 0.002 0.000 0.298 5518 N C 0.479 176.020 175.510 0.051 0.000 1.596 5518 N CA -0.279 52.798 53.050 0.045 0.000 0.910 5518 N CB 0.466 38.983 38.487 0.051 0.000 1.336 5518 N HN 0.230 nan 8.380 nan 0.000 0.497 5519 I N 0.872 121.457 120.570 0.026 0.000 2.567 5519 I HA -0.277 3.894 4.170 0.002 0.000 0.257 5519 I C 1.911 178.024 176.117 -0.007 0.000 1.184 5519 I CA 1.624 62.922 61.300 -0.003 0.000 1.451 5519 I CB 0.026 37.975 38.000 -0.084 0.000 1.089 5519 I HN 0.299 nan 8.210 nan 0.000 0.441 5520 Q N 0.553 120.352 119.800 -0.001 0.000 1.813 5520 Q HA -0.259 4.082 4.340 0.002 0.000 0.261 5520 Q C 2.036 178.036 176.000 0.001 0.000 0.975 5520 Q CA 1.845 57.646 55.803 -0.004 0.000 0.881 5520 Q CB -0.848 27.890 28.738 0.000 0.000 0.924 5520 Q HN 0.689 nan 8.270 nan 0.000 0.425 5521 E N 1.214 121.419 120.200 0.008 0.000 2.108 5521 E HA -0.238 4.113 4.350 0.002 0.000 0.203 5521 E C 2.109 178.720 176.600 0.018 0.000 1.022 5521 E CA 1.956 58.362 56.400 0.011 0.000 0.823 5521 E CB -0.585 29.123 29.700 0.014 0.000 0.744 5521 E HN 0.137 nan 8.360 nan 0.000 0.456 5522 V N 1.365 121.300 119.914 0.035 0.000 2.278 5522 V HA -0.335 3.786 4.120 0.002 0.000 0.251 5522 V C 2.593 178.706 176.094 0.033 0.000 1.062 5522 V CA 2.269 64.601 62.300 0.054 0.000 1.038 5522 V CB -0.629 31.265 31.823 0.118 0.000 0.646 5522 V HN 0.370 nan 8.190 nan 0.000 0.447 5523 S N -0.261 115.447 115.700 0.013 0.000 2.355 5523 S HA -0.092 4.379 4.470 0.002 0.000 0.222 5523 S C 1.832 176.413 174.600 -0.032 0.000 1.031 5523 S CA 1.718 59.901 58.200 -0.029 0.000 0.993 5523 S CB -0.360 62.800 63.200 -0.066 0.000 0.859 5523 S HN 0.529 nan 8.310 nan 0.000 0.453 5524 I N 2.368 122.926 120.570 -0.020 0.000 2.264 5524 I HA -0.220 3.951 4.170 0.002 0.000 0.248 5524 I C 2.233 178.346 176.117 -0.007 0.000 1.111 5524 I CA 1.013 62.303 61.300 -0.017 0.000 1.382 5524 I CB -0.565 37.428 38.000 -0.010 0.000 1.060 5524 I HN 0.327 nan 8.210 nan 0.000 0.418 5525 N N 1.102 119.803 118.700 0.001 0.000 2.013 5525 N HA -0.176 4.565 4.740 0.002 0.000 0.195 5525 N C 2.066 177.577 175.510 0.002 0.000 1.051 5525 N CA 1.584 54.640 53.050 0.009 0.000 0.851 5525 N CB -0.195 38.300 38.487 0.013 0.000 1.044 5525 N HN 0.249 nan 8.380 nan 0.000 0.422 5526 I N 1.566 122.132 120.570 -0.008 0.000 2.236 5526 I HA -0.317 3.854 4.170 0.002 0.000 0.249 5526 I C 2.526 178.622 176.117 -0.034 0.000 1.102 5526 I CA 1.025 62.310 61.300 -0.024 0.000 1.365 5526 I CB -0.417 37.563 38.000 -0.035 0.000 1.051 5526 I HN 0.188 nan 8.210 nan 0.000 0.420 5527 A N 1.219 124.018 122.820 -0.034 0.000 1.877 5527 A HA -0.177 4.144 4.320 0.002 0.000 0.216 5527 A C 2.277 179.863 177.584 0.004 0.000 1.186 5527 A CA 1.631 53.647 52.037 -0.034 0.000 0.620 5527 A CB -0.741 18.236 19.000 -0.038 0.000 0.822 5527 A HN 0.429 nan 8.150 nan 0.000 0.443 5528 I N -0.858 119.727 120.570 0.025 0.000 2.202 5528 I HA -0.219 3.952 4.170 0.002 0.000 0.242 5528 I C 2.287 178.448 176.117 0.073 0.000 1.091 5528 I CA 1.251 62.591 61.300 0.067 0.000 1.368 5528 I CB -0.528 37.513 38.000 0.067 0.000 1.058 5528 I HN 0.200 nan 8.210 nan 0.000 0.410 5529 K N 0.912 121.341 120.400 0.047 0.000 2.147 5529 K HA -0.088 4.233 4.320 0.002 0.000 0.205 5529 K C 2.171 178.807 176.600 0.060 0.000 1.049 5529 K CA 1.069 57.388 56.287 0.053 0.000 0.936 5529 K CB -0.279 32.237 32.500 0.027 0.000 0.722 5529 K HN 0.249 nan 8.250 nan 0.000 0.446 5530 V N 1.322 121.246 119.914 0.018 0.000 2.283 5530 V HA -0.223 3.898 4.120 0.002 0.000 0.243 5530 V C 2.749 178.887 176.094 0.073 0.000 1.039 5530 V CA 2.310 64.607 62.300 -0.005 0.000 1.016 5530 V CB -1.111 30.652 31.823 -0.099 0.000 0.650 5530 V HN 0.496 nan 8.190 nan 0.000 0.449 5531 T N -0.921 113.664 114.554 0.051 0.000 2.685 5531 T HA -0.317 4.035 4.350 0.002 0.000 0.268 5531 T C 1.579 176.341 174.700 0.102 0.000 1.034 5531 T CA 2.133 64.255 62.100 0.036 0.000 1.149 5531 T CB -0.543 68.378 68.868 0.089 0.000 0.860 5531 T HN 0.628 nan 8.240 nan 0.000 0.449 5532 E N 0.459 120.765 120.200 0.177 0.000 2.019 5532 E HA -0.217 4.134 4.350 0.002 0.000 0.208 5532 E C 1.848 178.584 176.600 0.226 0.000 1.030 5532 E CA 1.856 58.389 56.400 0.222 0.000 0.856 5532 E CB -0.592 29.209 29.700 0.168 0.000 0.781 5532 E HN 0.752 nan 8.360 nan 0.000 0.471 5533 Y N 1.754 122.092 120.300 0.063 0.000 2.062 5533 Y HA -0.337 4.214 4.550 0.002 0.000 0.273 5533 Y C 2.164 178.092 175.900 0.047 0.000 1.206 5533 Y CA 1.799 59.928 58.100 0.047 0.000 1.125 5533 Y CB -0.477 37.994 38.460 0.018 0.000 0.951 5533 Y HN 0.006 nan 8.280 nan 0.000 0.501 5534 L N -0.886 120.512 121.223 0.292 0.000 2.021 5534 L HA -0.338 4.003 4.340 0.002 0.000 0.215 5534 L C 2.377 179.234 176.870 -0.021 0.000 1.074 5534 L CA 2.132 57.026 54.840 0.091 0.000 0.760 5534 L CB -0.873 41.193 42.059 0.012 0.000 0.889 5534 L HN 0.390 nan 8.230 nan 0.000 0.433 5535 Y N -0.946 119.359 120.300 0.008 0.000 2.109 5535 Y HA -0.297 4.254 4.550 0.002 0.000 0.285 5535 Y C 2.664 178.533 175.900 -0.051 0.000 1.131 5535 Y CA 0.705 58.804 58.100 -0.000 0.000 1.121 5535 Y CB -0.361 38.104 38.460 0.008 0.000 0.987 5535 Y HN 0.189 nan 8.280 nan 0.000 0.495 5536 A N 0.545 123.429 122.820 0.107 0.000 1.940 5536 A HA -0.280 4.041 4.320 0.002 0.000 0.221 5536 A C 1.471 179.004 177.584 -0.084 0.000 1.190 5536 A CA 2.213 54.242 52.037 -0.013 0.000 0.647 5536 A CB -0.909 18.061 19.000 -0.049 0.000 0.821 5536 A HN 0.604 nan 8.150 nan 0.000 0.457 5537 N N 0.281 118.863 118.700 -0.197 0.000 2.346 5537 N HA 0.053 4.794 4.740 0.002 0.000 0.225 5537 N C -0.718 174.754 175.510 -0.064 0.000 1.144 5537 N CA -0.086 52.843 53.050 -0.202 0.000 0.837 5537 N CB 0.233 38.461 38.487 -0.432 0.000 1.069 5537 N HN 0.282 nan 8.380 nan 0.000 0.487 5541 F N 0.933 120.934 119.950 0.086 0.000 2.682 5541 F HA 0.190 4.718 4.527 0.002 0.000 0.308 5541 F C 1.495 177.425 175.800 0.216 0.000 1.093 5541 F CA -0.440 57.647 58.000 0.146 0.000 1.244 5541 F CB 0.510 39.584 39.000 0.122 0.000 1.052 5541 F HN 0.524 nan 8.300 nan 0.000 0.573 5542 R N 2.246 122.971 120.500 0.374 0.000 2.267 5542 R HA 0.117 4.458 4.340 0.002 0.000 0.319 5542 R C -1.288 175.246 176.300 0.389 0.000 1.067 5542 R CA 0.070 56.364 56.100 0.324 0.000 0.936 5542 R CB 0.290 30.727 30.300 0.229 0.000 1.006 5542 R HN 0.222 nan 8.270 nan 0.000 0.452 5543 Y N 3.065 123.475 120.300 0.185 0.000 2.598 5543 Y HA 0.772 5.324 4.550 0.002 0.000 0.340 5543 Y C -2.637 173.319 175.900 0.093 0.000 1.038 5543 Y CA -3.113 55.064 58.100 0.129 0.000 1.100 5543 Y CB 0.626 39.137 38.460 0.085 0.000 1.281 5543 Y HN 0.450 nan 8.280 nan 0.000 0.488 5544 P HA 0.232 nan 4.420 nan 0.000 0.292 5544 P C -1.314 175.989 177.300 0.006 0.000 1.283 5544 P CA -0.751 62.458 63.100 0.181 0.000 0.835 5544 P CB 1.252 33.052 31.700 0.167 0.000 1.017 5545 E N 4.229 124.376 120.200 -0.087 0.000 2.603 5545 E HA 0.014 4.365 4.350 0.002 0.000 0.242 5545 E C -1.556 174.838 176.600 -0.344 0.000 1.083 5545 E CA -1.208 54.923 56.400 -0.447 0.000 0.950 5545 E CB -0.227 28.999 29.700 -0.790 0.000 0.952 5545 E HN 0.261 nan 8.360 nan 0.000 0.498 5546 P HA -0.032 nan 4.420 nan 0.000 0.271 5546 P C 0.166 177.357 177.300 -0.181 0.000 1.218 5546 P CA -0.069 62.893 63.100 -0.231 0.000 0.780 5546 P CB 1.440 32.962 31.700 -0.296 0.000 0.901 5547 E N 1.293 121.433 120.200 -0.099 0.000 2.006 5547 E HA -0.185 4.166 4.350 0.002 0.000 0.192 5547 E C 0.014 176.596 176.600 -0.030 0.000 0.993 5547 E CA 0.921 57.281 56.400 -0.066 0.000 0.808 5547 E CB -0.173 29.505 29.700 -0.036 0.000 0.764 5547 E HN 0.427 nan 8.360 nan 0.000 0.449 5548 D N 0.530 120.932 120.400 0.003 0.000 2.344 5548 D HA 0.018 4.659 4.640 0.002 0.000 0.253 5548 D C 0.392 176.744 176.300 0.086 0.000 1.255 5548 D CA 0.081 54.107 54.000 0.043 0.000 0.894 5548 D CB 1.038 41.870 40.800 0.053 0.000 1.067 5548 D HN -0.067 nan 8.370 nan 0.000 0.492 5549 K N 2.708 123.166 120.400 0.097 0.000 2.155 5549 K HA 0.080 4.401 4.320 0.002 0.000 0.203 5549 K C 1.699 178.426 176.600 0.213 0.000 1.052 5549 K CA 1.007 57.399 56.287 0.175 0.000 0.948 5549 K CB -0.115 32.480 32.500 0.159 0.000 0.728 5549 K HN 0.434 nan 8.250 nan 0.000 0.448 5550 A N 0.992 123.893 122.820 0.135 0.000 1.855 5550 A HA -0.167 4.155 4.320 0.002 0.000 0.215 5550 A C 2.057 179.702 177.584 0.102 0.000 1.191 5550 A CA 1.605 53.705 52.037 0.104 0.000 0.613 5550 A CB -0.451 18.590 19.000 0.069 0.000 0.829 5550 A HN 0.211 nan 8.150 nan 0.000 0.442 5551 K N -1.554 118.909 120.400 0.104 0.000 2.280 5551 K HA -0.200 4.122 4.320 0.002 0.000 0.202 5551 K C 1.782 178.458 176.600 0.125 0.000 1.047 5551 K CA 1.614 57.955 56.287 0.090 0.000 0.942 5551 K CB -0.317 32.231 32.500 0.081 0.000 0.739 5551 K HN 0.576 nan 8.250 nan 0.000 0.457 5552 Y N 1.067 121.390 120.300 0.039 0.000 2.109 5552 Y HA -0.198 4.353 4.550 0.002 0.000 0.285 5552 Y C 2.002 177.928 175.900 0.043 0.000 1.131 5552 Y CA 1.505 59.634 58.100 0.048 0.000 1.121 5552 Y CB -0.577 37.928 38.460 0.074 0.000 0.987 5552 Y HN -0.196 nan 8.280 nan 0.000 0.495 5553 V N 0.826 120.668 119.914 -0.120 0.000 2.453 5553 V HA -0.241 3.880 4.120 0.002 0.000 0.247 5553 V C 2.310 178.332 176.094 -0.119 0.000 1.048 5553 V CA 2.094 64.263 62.300 -0.218 0.000 1.049 5553 V CB -0.563 31.230 31.823 -0.049 0.000 0.672 5553 V HN 0.318 nan 8.190 nan 0.000 0.457 5554 K N -0.326 120.050 120.400 -0.040 0.000 2.147 5554 K HA -0.196 4.125 4.320 0.002 0.000 0.205 5554 K C 2.072 178.649 176.600 -0.038 0.000 1.049 5554 K CA 1.446 57.719 56.287 -0.025 0.000 0.936 5554 K CB -0.075 32.427 32.500 0.004 0.000 0.722 5554 K HN 0.494 nan 8.250 nan 0.000 0.446 5555 E N -0.228 119.944 120.200 -0.046 0.000 2.371 5555 E HA -0.063 4.288 4.350 0.002 0.000 0.194 5555 E C 1.070 177.632 176.600 -0.064 0.000 1.012 5555 E CA 0.403 56.779 56.400 -0.040 0.000 0.860 5555 E CB 0.355 30.050 29.700 -0.010 0.000 0.811 5555 E HN 0.054 nan 8.360 nan 0.000 0.502 5556 R N 0.140 120.571 120.500 -0.115 0.000 2.393 5556 R HA 0.054 4.395 4.340 0.002 0.000 0.244 5556 R C 0.029 176.304 176.300 -0.043 0.000 0.920 5556 R CA 0.096 56.135 56.100 -0.101 0.000 1.076 5556 R CB 0.707 30.889 30.300 -0.198 0.000 1.119 5556 R HN 0.025 nan 8.270 nan 0.000 0.524 5557 T N -2.173 112.364 114.554 -0.029 0.000 2.919 5557 T HA 0.093 4.444 4.350 0.002 0.000 0.302 5557 T C -0.093 174.649 174.700 0.070 0.000 1.031 5557 T CA -0.774 61.337 62.100 0.018 0.000 1.127 5557 T CB 1.139 70.005 68.868 -0.003 0.000 0.952 5557 T HN 0.263 nan 8.240 nan 0.000 0.540 5558 W N 2.828 124.079 121.300 -0.082 0.000 2.161 5558 W HA 0.563 5.225 4.660 0.002 0.000 0.344 5558 W C -0.157 176.317 176.519 -0.076 0.000 1.262 5558 W CA -0.990 56.306 57.345 -0.082 0.000 1.270 5558 W CB 0.689 30.085 29.460 -0.106 0.000 1.126 5558 W HN 0.492 nan 8.180 nan 0.000 0.598 5559 R N 1.641 121.418 120.500 -1.205 0.000 2.711 5559 R HA 0.199 4.541 4.340 0.002 0.000 0.284 5559 R C 1.070 176.321 176.300 -1.747 0.000 0.968 5559 R CA -0.170 55.245 56.100 -1.142 0.000 0.924 5559 R CB 1.525 31.458 30.300 -0.612 0.000 1.162 5559 R HN 0.675 nan 8.270 nan 0.000 0.465 5560 S N 0.299 115.388 115.700 -1.019 0.000 2.470 5560 S HA -0.030 4.441 4.470 0.002 0.000 0.225 5560 S C 0.256 174.515 174.600 -0.569 0.000 1.006 5560 S CA -0.065 57.697 58.200 -0.729 0.000 0.934 5560 S CB -0.091 62.898 63.200 -0.352 0.000 0.778 5560 S HN 0.565 nan 8.310 nan 0.000 0.517 5561 E N 1.671 121.581 120.200 -0.483 0.000 2.465 5561 E HA -0.035 4.317 4.350 0.002 0.000 0.260 5561 E C -0.885 175.566 176.600 -0.248 0.000 0.980 5561 E CA -0.047 56.146 56.400 -0.345 0.000 0.927 5561 E CB -0.008 29.555 29.700 -0.229 0.000 0.934 5561 E HN 0.585 nan 8.360 nan 0.000 0.459 5562 Y N 1.542 121.775 120.300 -0.111 0.000 2.511 5562 Y HA -0.006 4.545 4.550 0.002 0.000 0.332 5562 Y C 0.940 176.806 175.900 -0.057 0.000 1.177 5562 Y CA -0.106 57.948 58.100 -0.078 0.000 1.422 5562 Y CB 0.671 39.078 38.460 -0.089 0.000 1.271 5562 Y HN 0.373 nan 8.280 nan 0.000 0.550 5563 D N 1.013 121.508 120.400 0.159 0.000 2.268 5563 D HA 0.131 4.772 4.640 0.002 0.000 0.249 5563 D C -0.329 176.022 176.300 0.084 0.000 1.008 5563 D CA -0.489 53.566 54.000 0.091 0.000 0.939 5563 D CB 1.827 42.679 40.800 0.087 0.000 1.170 5563 D HN 0.426 nan 8.370 nan 0.000 0.468 5564 S N 0.187 115.926 115.700 0.065 0.000 2.603 5564 S HA 0.207 4.679 4.470 0.002 0.000 0.268 5564 S C 0.885 175.528 174.600 0.071 0.000 1.317 5564 S CA -0.515 57.721 58.200 0.060 0.000 1.012 5564 S CB 0.387 63.617 63.200 0.051 0.000 0.926 5564 S HN 0.398 nan 8.310 nan 0.000 0.539 5565 L N 2.076 123.346 121.223 0.077 0.000 2.817 5565 L HA 0.339 4.680 4.340 0.002 0.000 0.248 5565 L C 0.282 177.184 176.870 0.054 0.000 1.133 5565 L CA -0.036 54.851 54.840 0.079 0.000 0.935 5565 L CB -0.243 41.883 42.059 0.113 0.000 1.266 5565 L HN 0.543 nan 8.230 nan 0.000 0.535 5566 L N 3.497 124.750 121.223 0.049 0.000 2.490 5566 L HA 0.116 4.457 4.340 0.002 0.000 0.274 5566 L C -1.404 175.485 176.870 0.032 0.000 1.201 5566 L CA -1.068 53.793 54.840 0.034 0.000 0.869 5566 L CB 0.491 42.571 42.059 0.034 0.000 1.123 5566 L HN -0.043 nan 8.230 nan 0.000 0.484 5567 P HA 0.006 nan 4.420 nan 0.000 0.275 5567 P C -0.825 176.495 177.300 0.034 0.000 1.228 5567 P CA -0.452 62.658 63.100 0.017 0.000 0.786 5567 P CB 0.727 32.420 31.700 -0.012 0.000 0.927 5568 D N 2.297 122.737 120.400 0.066 0.000 2.545 5568 D HA 0.103 4.745 4.640 0.002 0.000 0.227 5568 D C -0.236 176.153 176.300 0.148 0.000 1.150 5568 D CA -0.056 54.027 54.000 0.137 0.000 1.046 5568 D CB -0.334 40.581 40.800 0.191 0.000 1.098 5568 D HN -0.051 nan 8.370 nan 0.000 0.502 5569 V N 4.020 123.960 119.914 0.043 0.000 2.834 5569 V HA 0.366 4.487 4.120 0.002 0.000 0.301 5569 V C -0.286 175.827 176.094 0.032 0.000 1.066 5569 V CA -0.123 62.108 62.300 -0.114 0.000 1.052 5569 V CB 0.878 32.639 31.823 -0.103 0.000 1.021 5569 V HN 0.402 nan 8.190 nan 0.000 0.480 5570 Y N 0.599 120.894 120.300 -0.007 0.000 2.521 5570 Y HA 0.568 5.119 4.550 0.001 0.000 0.326 5570 Y C -0.626 175.310 175.900 0.059 0.000 1.176 5570 Y CA -1.954 56.169 58.100 0.038 0.000 1.079 5570 Y CB 0.500 39.003 38.460 0.072 0.000 1.341 5570 Y HN 0.740 nan 8.280 nan 0.000 0.456 5571 E N 1.251 121.580 120.200 0.214 0.000 2.360 5571 E HA 0.226 4.577 4.350 0.002 0.000 0.269 5571 E C -1.478 175.362 176.600 0.399 0.000 1.022 5571 E CA -0.195 56.323 56.400 0.195 0.000 0.887 5571 E CB 0.701 30.486 29.700 0.143 0.000 0.990 5571 E HN 0.589 nan 8.360 nan 0.000 0.426 5572 W N 5.002 126.351 121.300 0.082 0.000 2.308 5572 W HA 0.356 5.017 4.660 0.002 0.000 0.311 5572 W C -2.060 174.495 176.519 0.060 0.000 1.088 5572 W CA -2.332 55.073 57.345 0.101 0.000 1.309 5572 W CB 0.514 30.017 29.460 0.072 0.000 1.229 5572 W HN 0.647 nan 8.180 nan 0.000 0.427 5573 P HA 0.000 nan 4.420 nan 0.000 0.216 5573 P CA 0.000 63.134 63.100 0.057 0.000 0.800 5573 P CB 0.000 31.724 31.700 0.040 0.000 0.726